Chemical Penetration Enhancer Database

Welcome to CPE DB, the curated database of chemical penetration enhancers!

Contributors:
Marine Bozdaganyan — Project leader
Ekaterina Vasyuchenko — Compilation of data for the database, developer
Philipp Orekhov — Compilation of data for the database, developer
Grigoriy Armeev — Technical Management

How to cite: preparation for publication

NameSmilesPubChemCASlogKpReference
4‐nitrophenolC1=CC(=CC=C1[N+](=O)[O-])O980100-02-7-2.01Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
Ethyl benzeneCCC1=CC=CC=C17500100-41-40.08T. Dutkiewicz and H. Tyras, "A Study of Skin Absorption of Ethylbenzene in Man," Br. J. Ind. Med. 24, 330‐332 (1967)
StyreneC=CC1=CC=CC=C17501100-42-5-0.18T. Dutkiewicz and H. Tyras, "Skin Absorption of Toluene, Styrene, and Xylene by Man," Br. J. Ind. Med. 25, 243‐246 (1968)
benzyl alcoholC1=CC=C(C=C1)CO244100-51-6-2Barry, B.W., Harrison, S.M. and Dugard, P.H. (1985): Vapour and liquid diffusion of model penetrants through human skin: correlation with thermodynamic activity. J. Pharm. Pharmacol., 37, 226‐236
benzaldehydeC1=CC=C(C=C1)C=O240100-52-7-0.74Barry, B.W., Harrison, S.M. and Dugard, P.H. (1985): Vapour and liquid diffusion of model penetrants through human skin: correlation with thermodynamic activity. J. Pharm. Pharmacol., 37, 226‐236
anisoleCOC1=CC=CC=C17519100-66-3-1.24Barry, B.W., Harrison, S.M. and Dugard, P.H. (1985): Vapour and liquid diffusion of model penetrants through human skin: correlation with thermodynamic activity. J. Pharm. Pharmacol., 37, 226‐236
Boric acidB(O)(O)O762810043-35-3-3.58R.C. Wester, X. Hui, T. Hartway, H.I. Maibach, K. Bell, M.J. Schell, D.J. Northington, P. Strong, B.D. Culver, In vivo percutaneous absorption of boric acid, borax, and disodium octaborate tetrahydrate in humans compared to in vitro absorption in human skin from infinite and finite doses, Toxicol. Sci. 45 (1998) 42‐51
4‐bromophenolC1=CC(=CC=C1O)Br7808106-41-2-1.2Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
p‐cresolCC1=CC=C(C=C1)O2879106-44-5-1.59Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
p‐chlorophenolC1=CC(=CC=C1O)Cl4684106-48-9-1.2Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
p‐phenylenediamineC1=CC(=CC=C1N)N7814106-50-3-3.52Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
5‐aminolevulinic acidC(CC(=O)O)C(=O)CN137106-60-5-4.15Krishnan G, Roberts MS, Grice J, Anissimov YG, Benson HA. Enhanced transdermal delivery of 5‐aminolevulinic acid and a dipeptide by iontophoresis. Biopolymers. 2011;96(2):166‐171.
chloroacetonitrileC(C#N)Cl7856107-14-2-1Trabaris M, Laskin JD, Weisel CP. Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures. J Appl Toxicol. 2012;32(6):387‐394.
butyric acidCCCC(=O)O264107-92-6-2.92R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
1‐Methoxypropan‐2‐olCC(COC)O7900107-98-2-2.84S.C. Wilkinson, F.M. Williams, Effects of experimental conditions on absorption of glycol ethers through human skin in vitro, Int. Arch. Occup. Environ. Health 75 (2002) 519‐527
hydrocortisone hemipimelateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCCCCC(=O)O)O)C)O86100107085-84-7-2.74Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
GlyphosateC(C(=O)O)NCP(=O)(O)O34961071-83-6-3.33R.C. Wester, D. Quan, H.I. Maibach, In vitro percutaneous absorption of model compounds glyphosate and malathion from cotton fabric into and through human skin, Food Chem. Toxicol. 34 (1996) 731‐735
m‐cresolCC1=CC(=CC=C1)O342108-39-4-1.58Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
resorcinolC1=CC(=CC(=C1)O)O5054108-46-3-3.28Abraham MH, Martins F, Mitchell RC. 1997. Algorithms for skin permeability using hydrogen bond descriptors: The problem of steroids. J Pharm Pharmacol 49:858‐865
phloroglucinolC1=C(C=C(C=C1O)O)O359108-73-6-2.51du Plessis J, Pugh WJ, Judefeind A, Hadgraft J. Physico‐chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups. Eur J Pharm Sci. 2002;16:107‐112.
tolueneCC1=CC=CC=C11140108-88-3-0.04B.D. Anderson, P.V. Raykar, Solute structure‐permeability relationships in human stratum corneum, J. Invest. Dermatol. 93 (1989) 280‐286
phenolC1=CC=C(C=C1)O996108-95-2-1.94Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
pentanoic acidCCCCC(=O)O7991109-52-4-2.55R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
2‐IsopropoxyethanolCC(C)OCCO7996109-59-1-3.35M. Venier, G. Adami, F. Larese, G. Maina, N. Renzi, Percutaneous absorption of 5 glycol ethers through human skin in vitro, Toxicol. In Vitro 18 (2004) 665‐671
2‐Methoxyethyl acetateCC(=O)OCCOC8054110-49-6-2.74M. Venier, G. Adami, F. Larese, G. Maina, N. Renzi, Percutaneous absorption of 5 glycol ethers through human skin in vitro, Toxicol. In Vitro 18 (2004) 665‐671
2‐ethoxyethanolCCOCCO8076110-80-5-3.36I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
heptanoic acidCCCCCCC(=O)O8094111-14-8-1.7R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
hexanolCCCCCCO8103111-27-3-1.66Bond, J.R. and Barry, B.W. (1988): Limitations of hairless mouse skin as a model for in vitro permeation studies through human skin: hydration damage. J. Invest. Dermatol., 90, 486‐489
heptanolCCCCCCCO8129111-70-6-1.28I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
butoxyethanolCCCCOCCO8133111-76-2-2.44Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
n‐octanolCCCCCCCCO957111-87-5-1.09Cross, S.E., Magnusson, B.M. Winckle, G., Anissimov, Y. and Roberts, M.S. (2003): Determination of the effect of lipophilicity on the in vitro permeability and tissue reservoir characteristics of topically applied solutes in human skin layers. J. Invest. Dermatol, 120, 759‐764
N‐ NitrosodiethanolamineC(CO)N(CCO)N=O142231116-54-7-5.26R.L. Bronaugh, E.R. Congdon, R.J. Scheuplein, The effect of cosmetic vehicles on the penetration of N‐nitrosodiethanolamine through excised human skin, J. Invest. Dermatol. 76 (1981) 94‐96
decanolCCCCCCCCCCO8174112-30-1-1Cross, S.E., Magnusson, B.M. Winckle, G., Anissimov, Y. and Roberts, M.S. (2003): Determination of the effect of lipophilicity on the in vitro permeability and tissue reservoir characteristics of topically applied solutes in human skin layers. J. Invest. Dermatol, 120, 759‐764
oleic acidCCCCCCCCC=CCCCCCCCC(=O)O445639112-80-1-2.88Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
2‐Phenyl propanolCC(CO)C1=CC=CC=C1142951123-85-9-1.28Diez Sales, O: Lopez Castellano, A., Maiques Lacer, F.J. and Herraez Dominguez, M. (1993): An in vitro percutaneous absorption study of non‐ionic compounds across human skin. 48, 684‐686
BaclofenC1=CC(=CC=C1C(CC(=O)O)CN)Cl22841134-47-0-4.41Sznitowska, M., Janicki, S. and Williams, AC. (1998): Intracellular or intercellular localization of the polar pathaway of penetration across stratum corneum. J. Pharm. Sci., 87, 1109‐1114
hydrocortisone succinamateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)N)O)C)O101127490114593-85-0-4.59Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone methylsuccinateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)OC)O)C)O23277387114593-86-1-3.68Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐ partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone pimelamateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCCCCC(=O)N)O)C)O101127492114593-87-2-3.05Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone hydroxyhexanoateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCCCCO)O)C)O21116188114593-88-3-3.04Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone methylpimelateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCCCCC(=O)OC)O)C)O101117660114611-36-8-2.27Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
4‐amino‐2‐nitrophenolC1=CC(=C(C=C1N)[N+](=O)[O-])O3417419119-34-6-2.45Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
methyl salicylateCOC(=O)C1=CC=CC=C1O4133119-36-8-1.44Zhang Q, Grice JE, Li P, Jepps OG, Wang GJ, Roberts MS. Skin solubility determines maximum transepidermal flux for similar size molecules. Pharm Res. 2009;26(8):1974‐1985.
isoquinolineC1=CC=C2C=NC=CC2=C18405119-65-3-1.78Hadgraft J, Ridout G. Development of model membranes for percutaneous absorption measurements. I Isopropyl Myristate. lnt.J.Pharmaceutics 1987; 39: 149‐156
catecholC1=CC=C(C(=C1)O)O289120-80-9-2.51du Plessis J, Pugh WJ, Judefeind A, Hadgraft J. Physico‐chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups. Eur J Pharm Sci. 2002;16:107‐112.
2,4‐dichlorophenolC1=CC(=C(C=C1Cl)Cl)O8449120-83-2-0.98Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
octylparabenCCCCCCCCOC(=O)C1=CC=C(C=C1)O146421219-38-1-2.03Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
p‐ethylphenolCCC1=CC=C(C=C1)O31242123-07-9-1.21Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
hydroquinoneC1=CC(=CC=C1O)O785123-31-9-2.95du Plessis J, Pugh WJ, Judefeind A, Hadgraft J. Physico‐chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups. Eur J Pharm Sci. 2002;16:107‐112.
octanoic acidCCCCCCCC(=O)O379124-07-2-1.62R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
diethylene glycol mono n‐butyl ether acetateCCCCOCCOCCOC(=O)C31288124-17-4-3.49M. Venier, G. Adami, F. Larese, G. Maina, N. Renzi, Percutaneous absorption of 5 glycol ethers through human skin in vitro, Toxicol. In Vitro 18 (2004) 665‐671
chlorodibromomethaneC(Cl)(Br)Br31296124-48-1-0.7Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
triamcinoloneCC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O31307124-94-7-5.4Siddiqui O, Roberts MS, Polack AE. Pexcutaneous absorption of steroids: relative contributions of epidermal penetration and dermal clearance. J.Pharmacokinet.Biopharm. 1989; 17(4): 405‐424.
hydrocortisone hemisuccinateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)O.[Na]16219411125-04-2-3.2Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
ButabarbitalCCC(C)C1(C(=O)NC(=O)NC1=O)CC2479125-40-6-3.71Hadgraft J, Ridout G. Development of model membranes for percutaneous absorption measurements. I Isopropyl Myristate. lnt.J.Pharmaceutics 1987; 39: 149‐156
griseofulvinCC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC441140126-07-8-2.88Ritschel WA, Sabouni A, Hussain AS. Percutaneous absorption of coumarin, griseofulvin and propranolol across human scalp and abdominal skin. Methods Find Exp Clin Pharmacol. 1989;11(10):643‐646.
chlorpheniramineCN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N22725132-22-9-2.77Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
chlorocresolCC1=C(C=CC(=C1)O)Cl173259-50-7-1.26Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
triglycol nicotinate132537-21-4-4.76A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
methyltriglycol nicotinateCOCCOCCOCCOC(=O)C1=CN=CC=C171340995132537-22-5-3.51A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
ephedrineCC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O5359318134-72-5-2.22Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
b‐naphtholC1=CC=C2C=C(C=CC2=C1)O8663135-19-3-1.45Johnson, M.E., D. Blankschtein, and R. Langer, Evaluation of solute permeation through the stratum corneum: Lateral bilayer diffusion as the primary transport mechanism. Journal of Pharmaceutical Sciences, 1997. 86(10): p. 1162‐1172
lidocaineCCN(CC)CC(=O)NC1=C(C=CC=C1C)C3676137-58-6-2.46Johnson ME, Mitragotri S, Patel A, Blankschtein D, Langer R. Synergistic effects of chemical enhancers and therapeutic ultrasound on transdermal drug delivery. J Pharm Sci. 1996;85:670‐679.
levosimendanCC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N3033825141505-33-1-2.92Valjakka‐Koskela R, Hirvonen J, Moenkkoenen J, Kiesvaara J, Antila S, Lehtonen L, Urtti A. Transdermal delivery of levosimendan. Eur J Pharm Sci. 2000;11(4):343‐350.
4‐Hydroxy‐ methylphenylacetateCOC(=O)CC1=CC=C(C=C1)O51890014199-15-6-1.7B.D. Anderson, P.V. Raykar, Solute structure‐permeability relationships in human stratum corneum, J. Invest. Dermatol. 93 (1989) 280‐286
hexanoic acidCCCCCC(=O)O8892142-62-1-1.92R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
n‐nonanolCCCCCCCCCO8914143-08-8-0.98R. J. Scheuplein and I. H. Blank, "Permeability of Skin," Physiol. Rev. 51, 702‐747 (1971)
pregnenoloneCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C8955145-13-1-2.82Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
etorphineCCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O44340714521-96-1-2.2Flynn GL. 1990. Physicochemical determinants of skin absorption. In: Gerrity TR, Henry CJ, editors. Principles of route‐to‐route extrapolation for risk assessment. New York: Elsevier Science, pp 93‐127
cytarabineC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O6253147-94-4-5.3Legoabe LJ, Breytenbach JC, N'Da DD, Breytenbach JW. In‐vitro transdermal penetration of cytarabine and its N4‐alkylamide derivatives. J Pharm Pharmacol. 2010;62(6):756‐761.
Sodium lauryl sulphateCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]3423265151-21-3-2.54Effendy, I., Weltfriend, S., Kwangsukstith, C., Singh, P. and Maibach, H.I. (1996): Effects of all‐trans reitinoic acid and sodium lauryl sulphate on the permeability of human skin in vitro. Br. J. Dermatol, 135, 428‐432
cortexoloneCC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C440707152-58-9-4.12Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
diclofenacC1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl303315307-86-5-2.75Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
4‐Hydroxy‐phenylacetic acidC1=CC(=CC=C1CC(=O)O)O127156-38-7-2.55B.D. Anderson, P.V. Raykar, Solute structure‐permeability relationships in human stratum corneum, J. Invest. Dermatol. 93 (1989) 280‐286
ibuprofenCC(C)CC1=CC=C(C=C1)C(C)C(=O)O367215687-27-1-1.84Swart H, Breytenbach JC, Hadgraft J, du Plessis J. Synthesis and transdermal penetration of NSAID glycoside esters. Int J Pharm. 2005;301(1‐2):71‐79.
L‐alanyl‐L‐tryptophanCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N8536216305-75-2-4.82Krishnan G, Roberts MS, Grice J, Anissimov YG, Benson HA. Enhanced transdermal delivery of 5‐aminolevulinic acid and a dipeptide by iontophoresis. Biopolymers. 2011;96(2):166‐171.
p‐n‐butylphenolCCCCC1=CC=C(C=C1)O154201638-22-8-1.11Zhang Q, Grice JE, Li P, Jepps OG, Wang GJ, Roberts MS. Skin solubility determines maximum transepidermal flux for similar size molecules. Pharm Res. 2009;26(8):1974‐1985.
4‐ hydroxyphenylacetamideC1=CC(=CC=C1CC(=O)N)O8698617194-82-0-3.33B.D. Anderson, P.V. Raykar, Solute structure‐permeability relationships in human stratum corneum, J. Invest. Dermatol. 93 (1989) 280‐286
4‐propoxyphenolCCCOC1=CC=C(C=C1)O2935218979-50-5-1.82Zhang Q, Grice JE, Li P, Jepps OG, Wang GJ, Roberts MS. Skin solubility determines maximum transepidermal flux for similar size molecules. Pharm Res. 2009;26(8):1974‐1985.
ParaquatC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]159381910-42-5-5.03D. Dick, K.M. Ng, D.N. Sauder, I. Chu, In vitro and in vivo percutaneous absorption of 14C‐ chloroform in humans, Hum. Exp. Toxicol. 14 (1992) 260‐265
2-Phenyl-1-butanolCCC(CO)C1=CC=CC=C1955422035-94-1-1.19Diez Sales, O: Lopez Castellano, A., Maiques Lacer, F.J. and Herraez Dominguez, M. (1993): An in vitro percutaneous absorption study of non‐ionic compounds across human skin. 48, 684‐686
betamethasone 17‐ valerateCCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO1269688012152-44-5-2.94Siddiqui O, Roberts MS, Polack AE. Pexcutaneous absorption of steroids: relative contributions of epidermal penetration and dermal clearance. J.Pharmacokinet.Biopharm. 1989; 17(4): 405‐424.
ketoprofenCC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O382522071-15-4-2.58Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
naproxenCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O15639122204-53-1-2.64Chowhan, Z.T. and Pritchard, R. (1978): Effect of surfactants on percutaneous absorption of naproxen I: conparisons of rabbt, rat and human excised skin. J. Pharm. Sci., 67, 1272‐1274
Hexyl nicotinateCCCCCCOC(=O)C1=CN=CC=C19020223597-82-2-1.51A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
1‐octyl‐2‐pyrrolidoneCCCCCCCCN1CCCC1=O30338712687-94-7-1.27Chantasart D, Li SK. Relationship between the enhancement effects of chemical permeation enhancers on the lipoidal transport pathway across human skin under the symmetric and asymmetric conditions in vitro. Pharm Res. 2010;27(9):1825‐1836.
n‐PropoxyethanolCCCOCCO177562807-30-9-2.98M. Venier, G. Adami, F. Larese, G. Maina, N. Renzi, Percutaneous absorption of 5 glycol ethers through human skin in vitro, Toxicol. In Vitro 18 (2004) 665‐671
octanolCCCCCC(CC)O1152729063-28-3-1.17Cross, S.E., Magnusson, B.M. Winckle, G., Anissimov, Y. and Roberts, M.S. (2003): Determination of the effect of lipophilicity on the in vitro permeability and tissue reservoir characteristics of topically applied solutes in human skin layers. J. Invest. Dermatol, 120, 759‐764
atenololCC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O224929122-68-7-3.79Chantasart D, Hao J, Li SK. Evaluation of Skin Permeation of b‐Blockers for Topical Drug Delivery. Pharm Res. 2013;30(3):866‐877.
8‐MethoxypsoralenCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O24114298-81-7-1.75Anigbogu, A.N., Williams, AC. and Barry, B.W. (1996): Permeation characteristics of 8‐ methoxypsoralen through human skin; relevavence to clinical treatment. J. Pharm. Pharmacol., 48, 357‐366
AmphetamineCC(CC1=CC=CC=C1)N3007300-62-9-4.85Galey, W.R., Lonsdale, H.K and Nacht, S. (1976): The in vitro permeability of skin and buccal mucosa to selected drugs and tritiated water. J. Invest. Dermatol, 67, 713‐717
dichloroacetonitrileC(#N)C(Cl)Cl181773018-12-0-0.82Trabaris M, Laskin JD, Weisel CP. Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures. J Appl Toxicol. 2012;32(6):387‐394.
chloral hydrateC(C(Cl)(Cl)Cl)(O)O2707302-17-0-2.41Trabaris M, Laskin JD, Weisel CP. Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures. J Appl Toxicol. 2012;32(6):387‐394.
pentanolCCCCCO627630899-19-5-1.98Scheuplein, R.J. (1965): Mechanism of percutaneous adsorption. I. Routes of penetration and the influence of solubility. J. Invest. Dermatol., 45, 334‐346.
dibromoacetonitrileC(#N)C(Br)Br186173252-43-5-0.77Trabaris M, Laskin JD, Weisel CP. Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures. J Appl Toxicol. 2012;32(6):387‐394.
diazinonCCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C3017333-41-5-2.06Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
Dipropylene glycol methyl etherCCC(O)OCCCOC2283333134590-94-8-4.09M. Venier, G. Adami, F. Larese, G. Maina, N. Renzi, Percutaneous absorption of 5 glycol ethers through human skin in vitro, Toxicol. In Vitro 18 (2004) 665‐671
ButanolCCCCO26335296-72-1-2.47I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
fluocinonideCC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C9642356-12-7-2.77Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone hexanoateCCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O1074233593-96-2-1.74Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
piroxicamCN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N35467622836322-90-4-3.33Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
betamethasoneCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C9782378-44-9-3.59Kubota K, Maibach HI. In vitro percutaneous permeation of betamethasone and betamethasone 17‐valerate. J Pharm Sci. 1993;82(10):1039‐1045.
etodolacCCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O330841340-25-4-2.12Degim T, Hadgraft J, Ilbasmis S, Ozkan Y. Prediction of Skin Penetration Using Artificial Neural Network (ANN) Modeling. J Pharm Sci. 2003;92(3):656‐664.
fentanylCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C33345437-38-7-2.02Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
iso‐thymolCC1=CC(=C(C=C1)O)C(C)C781534427-56-9-1.28Chantasart D, Li SK. Relationship between the enhancement effects of chemical permeation enhancers on the lipoidal transport pathway across human skin under the symmetric and asymmetric conditions in vitro. Pharm Res. 2010;27(9):1825‐1836.
linolenic acidCCC=CCC=CCC=CCCCCCCCC(=O)O5280934463-40-1-2.43Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
hydromorphineCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC45284570466-99-9-4.82Roy, S.D. and Flynn, G.L (1989): Transdermal delivery of narcotic analgesics: comparative permeabilities of narcotc analgesics through human cadaver skin. Pharm. Res., 6, 825‐832
1‐hexyl‐2‐pyrrolidoneCCCCCCN1CCCC1=O785554838-65-7-1.65Chantasart D, Li SK. Relationship between the enhancement effects of chemical permeation enhancers on the lipoidal transport pathway across human skin under the symmetric and asymmetric conditions in vitro. Pharm Res. 2010;27(9):1825‐1836.
dexamethasoneCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C574350-02-2-3.95Johnson ME, Mitragotri S, Patel A, Blankschtein D, Langer R. Synergistic effects of chemical enhancers and therapeutic ultrasound on transdermal drug delivery. J Pharm Sci. 1996;85:670‐679.
phenobarbitalCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2476350-06-6-3.34Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
corticosteroneCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O575350-22-6-3.75Dolezal, P., Hrabalek, A. and Semacky, V. (1993): Epsilon‐Aminocaproic acid esters as transdermal penetration enhancing agents. Pharm. Res., 10, 1015‐1019
hydrocortisoneCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O575450-23-7-4.19Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
prednisoloneCC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O575550-24-8-4.35Siddiqui O, Roberts MS, Polack AE. Pexcutaneous absorption of steroids: relative contributions of epidermal penetration and dermal clearance. J.Pharmacokinet.Biopharm. 1989; 17(4): 405‐424.
estriolCC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O575650-27-1-4.4Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
estradiolCC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O575750-28-2-2.48Dolezal, P., Hrabalek, A. and Semacky, V. (1993): Epsilon‐Aminocaproic acid esters as transdermal penetration enhancing agents. Pharm. Res., 10, 1015‐1019
AspirinCC(=O)OC1=CC=CC=C1C(=O)O224450-78-2-2.13Degim IT, Pugh WJ, Hadgraft J. 1998. Skin permeability data: Anomalous results. Int J Pharm 170:129‐133
5 ‐FluorouracilC1=C(C(=O)NC(=O)N1)F338551-21-8-4.17Bond, J.R. and Barry, B.W. (1988): Hairless mouse skin is limited as a model for assessing the effects of penetration enhancers in human skin. J. Invest. Dermatol., 90, 810‐813
scopolamineCN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4300032251-34-3-4.47Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
atropineCN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C317417451-55-8-5.07Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
flurbiprofenCC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O33945104-49-4-1.77Swart H, Breytenbach JC, Hadgraft J, du Plessis J. Synthesis and transdermal penetration of NSAID glycoside esters. Int J Pharm. 2005;301(1‐2):71‐79.
raffinoseC(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O439242512-69-6-4.81K.D. Peck, A.H. Ghanem, W.I. Higuchi, Hindered diffusion of polar molecules through and effective pore radii estimates of intact and ethanol treated human epidermal membrane, Pharm. Res. 11 (1994) 1306‐1314
2,3‐ButanediolCC(C(C)O)O262513-85-9-4.21I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
1,1‐dichloropropanoneCC(=O)C(Cl)Cl10567513-88-2-1.36Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
metoprololCC(C)NCC(COC1=CC=C(C=C1)CCOC)O417151384-51-1-3.08Modamio P, Lastra CF, Marino EL. A comparative in vitro study of percutaneous penetration of beta‐blockers in human skin. Int J Pharm. 2000;194:249‐259
nimesulideCS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2449551803-78-2-2.99Degim T, Hadgraft J, Ilbasmis S, Ozkan Y. Prediction of Skin Penetration Using Artificial Neural Network (ANN) Modeling. J Pharm Sci. 2003;92(3):656‐664.
cyclobarbitoneCCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2583852-31-3-3.09Y. Morimoto, T. Hatanaka, K. Sugibayashi, H. Omiya, Prediction of skin permeability of drugs: comparison of human and hairless rat skin, J. Pharm. Pharmacol. 44 (1992) 634‐639
aldosteroneCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O583952-39-1-4.64Dolezal, P., Hrabalek, A. and Semacky, V. (1993): Epsilon‐Aminocaproic acid esters as transdermal penetration enhancing agents. Pharm. Res., 10, 1015‐1019
haloperidolC1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F355952-86-8-3.47Vaddi, H.K., Wang, L.Z., Ho, P.C., Chan, Y.W. and Chan, S.Y. (2001): Effect of cetrimide and ascorbic acid on in vitro human skin permeation of haloperidol. Chem. Pharm. Bull., 49, 1395‐1400
propranololCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O4946525-66-6-2.49Chantasart D, Hao J, Li SK. Evaluation of Skin Permeation of b‐Blockers for Topical Drug Delivery. Pharm Res. 2013;30(3):866‐877.
cortisoneCC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C22278653-06-5-4.43Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
estroneCC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O587053-16-7-2.44Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
indomethacinCC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O371553-86-1-3.1Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
flufenamic acidC1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F3371530-78-9-2.63Henning A, Neumann D, Kostka KH, Lehr CM, Schaefer UF. Influence of human skin specimens consisting of different skin layers on the result of in vitro permeation experiments. Skin Pharmacol Physiol. 2008;21(2):81‐88
2‐nitro-p‐phenylenediamineC1=CC(=C(C=C1N)[N+](=O)[O-])N43383705307-14-2-3.2Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
1,2,4‐benzenetriolC1=CC(=C(C=C1O)O)O10787533-73-3-3.9du Plessis J, Pugh WJ, Judefeind A, Hadgraft J. Physico‐chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups. Eur J Pharm Sci. 2002;16:107‐112.
nicotineCN1CCCC1C2=CN=CC=C28959454-11-5-2.35Degim IT, Pugh WJ, Hadgraft J. 1998. Skin permeability data: Anomalous results. Int J Pharm 170:129‐133
NitroglycerinC(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]451055-63-0-1.96Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
3‐nitrophenolC1=CC(=CC(=C1)O)[N+](=O)[O-]11137554-84-7-2.01Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
bromochloroacetic acidC(C(=O)O)(Cl)Br5427625589-96-8-2.79Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
lysineC(CCN)CC(C(=O)O)N596256-87-1-3.54Sznitowska M, Berner B, Maibach HI. In vitro permeation of human skin by multipolar ions. Int J Pharm. 1993;99(1):43‐49
sufentanilCCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC4169356030-54-7-1.87Roy, S.D. and Flynn, G.L (1989): Transdermal delivery of narcotic analgesics: comparative permeabilities of narcotc analgesics through human cadaver skin. Pharm. Res., 6, 825‐832
ureaC(=O)(N)N117657-13-6-3.78Barber, E.D., Teetsel, N.M., Kolberg, K.F. and Guest, D. (1992): A comparative study of the rates of in vitro percutaneous absorption of eight chemicals using rat and human skin. Fundam. Appl. Toxicol., 19, 493‐497
morphineCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O528882657-27-2-5.03Roy, S.D. and Flynn, G.L (1989): Transdermal delivery of narcotic analgesics: comparative permeabilities of narcotc analgesics through human cadaver skin. Pharm. Res., 6, 825‐832
meperidineCCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2405857-42-1-2.43Roy, S.D. and Flynn, G.L (1989): Transdermal delivery of narcotic analgesics: comparative permeabilities of narcotc analgesics through human cadaver skin. Pharm. Res., 6, 825‐832
amylobarbitalCCC1(C(=O)NC(=O)NC1=O)CCC(C)C216457-43-2-2.64Hadgraft J, Ridout G. Development of model membranes for percutaneous absorption measurements. I Isopropyl Myristate. lnt.J.Pharmaceutics 1987; 39: 149‐156
barbitalCCC1(C(=O)NC(=O)NC1=O)CC229457-44-3-3.95Hadgraft J, Ridout G. Development of model membranes for percutaneous absorption measurements. I Isopropyl Myristate. lnt.J.Pharmaceutics 1987; 39: 149‐156
sucroseC(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O598857-50-1-4.92Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
progesteroneCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C599457-83-0-1.99Johnson ME, Blankschtein D, Langer R. Permeation of steroids through human skin. J Pharm Sci. 1995;84:1144‐1146
caffeineCN1C=NC2=C1C(=O)N(C(=O)N2C)C251958-08-2-3.4Akomeah FK, Martin GP, Brown MB. Variability in human skin permeability in vitro: comparing penetrants with different physicochemical properties. J Pharm Sci. 2007;4:824‐834
aminopyrineCC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C600958-15-1-2.99Y. Morimoto, T. Hatanaka, K. Sugibayashi, H. Omiya, Prediction of skin permeability of drugs: comparison of human and hairless rat skin, J. Pharm. Pharmacol. 44 (1992) 634‐639
testosteroneCC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C601358-22-0-2.63Bronaugh, R.L. and Franz, T.J. (1986): Vehicle effects on percutaneous absorption: in vivo and in vitro comparisons with human skin. Br. J. Dermatol., 115, 1‐11
ethacrynic acidCCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl327858-54-8-3.82Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
theophyllineCN1C2=C(C(=O)N(C1=O)C)NC=N2215358-55-9-3.93Dolezal, P., Hrabalek, A. and Semacky, V. (1993): Epsilon‐Aminocaproic acid esters as transdermal penetration enhancing agents. Pharm. Res., 10, 1015‐1019
4‐ChlorocresolCC1=C(C=CC(=C1)O)Cl173259-67-6-1.27Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
Nicotinic acidC1=CC(=CN=C1)C(=O)O93859-92-7-4.62A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
levodopaC1=CC(=C(C=C1CC(C(=O)O)N)O)O604759227-88-2-4.18Y. Morimoto, T. Hatanaka, K. Sugibayashi, H. Omiya, Prediction of skin permeability of drugs: comparison of human and hairless rat skin, J. Pharm. Pharmacol. 44 (1992) 634‐639
1‐octyl‐2‐ azacycloheptanoneCCCCCCCCN1CCCCCC1=O275406759277-89-3-1.28Chantasart D, Li SK. Relationship between the enhancement effects of chemical permeation enhancers on the lipoidal transport pathway across human skin under the symmetric and asymmetric conditions in vitro. Pharm Res. 2010;27(9):1825‐1836.
acyclovirC1=NC2=C(N1COCCO)N=C(NC2=O)N135398513598-56-1-3.52Volpato NM, Nicoli S, Laureri C, Colombo P, Santi P. In vitro acyclovir distribution in human skin layers after transdermal iontophoresis. J Control Release. 1998;50(1‐3):291‐296.
dimethylethylamineCCN(C)C1172359804-37-4-2.39Lundh T, Boman A, Akesson B. Skin absorption of the industrial catalyst dimethylethylamine in vitro in guinea pig and human skin, and of gaseous dimethylethylamine in human volunteers. Int Arch Occup Environ Health. 1997;70(5):309‐313.
TenoxicamCN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N35467797160-12-8-3.05Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
2‐phenylethanolC1=CC=C(C=C1)CCO605460-29-7-1.64Barry, B.W., Harrison, S.M. and Dugard, P.H. (1985): Vapour and liquid diffusion of model penetrants through human skin: correlation with thermodynamic activity. J. Pharm. Pharmacol., 37, 226‐236
ethyletherCCOCC328360-80-0-2.3I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
AntipyrineCC1=CC(=O)N(N1C)C2=CC=CC=C2220661379-44-0-4.18Y. Morimoto, T. Hatanaka, K. Sugibayashi, H. Omiya, Prediction of skin permeability of drugs: comparison of human and hairless rat skin, J. Pharm. Pharmacol. 44 (1992) 634‐639
2‐hydroxypropyl nicotinateCC(COC(=O)C1=CN=CC=C1)O70542349614-18-6-4.23A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
ethyl nicotinateCCOC(=O)C1=CN=CC=C169188617-45-8-1.95A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
aspartic acidC(C(C(=O)O)N)C(=O)O424619-45-4-3.95Sznitowska M, Berner B, Maibach HI. In vitro permeation of human skin by multipolar ions. Int J Pharm. 1993;99(1):43‐49
methyl p‐aminobenzoateCOC(=O)C1=CC=C(C=C1)N1208262-53-3-1.63Roy SD, Fujiki J, Fleitman JS. Permeabilities of alkyl p‐aminobenzoates through living skin equivalent and cadaver skin. J Pharm Sci. 1993;82(12):1266‐1268.
anilineC1=CC=C(C=C1)N6115623-05-2-1.42B. Baranowska‐Dutkiewicz, "Skin Absorption of Aniline from Aqueous Solutions in Man," Toxicol. Lett. 10, 367‐372 (1982)
4‐hydroxybenzyl alcoholC1=CC(=CC=C1CO)O125630-60-4-2.7B.D. Anderson, P.V. Raykar, Solute structure‐permeability relationships in human stratum corneum, J. Invest. Dermatol. 93 (1989) 280‐286
ouabainCC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O439501631-64-1-5.76Galey, W.R., Lonsdale, H.K and Nacht, S. (1976): The in vitro permeability of skin and buccal mucosa to selected drugs and tritiated water. J. Invest. Dermatol, 67, 713‐717
dibromoacetic acidC(C(=O)O)(Br)Br1243363659-18-7-2.58Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
betaxololCC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O236964-04-0-2.74Chantasart D, Hao J, Li SK. Evaluation of Skin Permeation of b‐Blockers for Topical Drug Delivery. Pharm Res. 2013;30(3):866‐877.
PhenylethylamineC1=CC=C(C=C1)CCN100164-17-5-3.77Singh, P., Anliker, M., Smith, G.A., Zavortink, D. and Maibach, H.I. (1995): Transdermal iontophoresis and solute penetration across excised human skin. J. Pharm. Sci., 84, 1342‐1346
ethanolCCO70264-19-7-3.08Cross, S.E., Magnusson, B.M. Winckle, G., Anissimov, Y. and Roberts, M.S. (2003): Determination of the effect of lipophilicity on the in vitro permeability and tissue reservoir characteristics of topically applied solutes in human skin layers. J. Invest. Dermatol, 120, 759‐764
acetic acidCC(=O)O17664-85-7-2.52Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
cortexoneCC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C61666452-71-7-3.35Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
oxprenololCC(C)NCC(COC1=CC=CC=C1OCC=C)O463165-85-0-2.81Modamio P, Lastra CF, Marino EL. A comparative in vitro study of percutaneous penetration of beta‐blockers in human skin. Int J Pharm. 2000;194:249‐259.
benzoic acidC1=CC=C(C=C1)C(=O)O24365141-46-0-1.85Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
nicorandilC1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]4752866357-35-5-3.66K. Sato, K. Sugibayashi, Y. Morimoto, Species differences in percutaneous absorption of nicorandil, J. Pharm. Sci. 80 (1991) 104‐107
ranitidineCNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C30010556677-98-1-4.05Degim T, Hadgraft J, Ilbasmis S, Ozkan Y. Prediction of Skin Penetration Using Artificial Neural Network (ANN) Modeling. J Pharm Sci. 2003;92(3):656‐664.
hydrocortisone propinateCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O1112286678-14-4-2.47Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
hydrocortisone octanoateCCCCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O9433067-56-1-1.21Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
methanolCO88767-66-3-3McAuliffe, D.J. and Blank, H.I. (1991): Effects of UVA (320‐400 nm) on the barrier characteristics of the skin. J. Invest. Dermatol., 96, 758‐762
chloroformC(Cl)(Cl)Cl621268-96-2-0.79Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
hydroxypregnenoloneCC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O623869-65-8-3.22Scheuplein, R.J., Blank, I.H., Brauner, G.J., and MacFarlane, D.J. (1969): Percutaneous absorption of steroids. J. Invest. Dermatol., 52, 63‐70
mannitolC(C(C(C(C(CO)O)O)O)O)O625169-72-7-4.32H.M. Clowes, Skin absorption: flow‐through or statistic diffusion cells, Toxicol. In Vitro 8 (1994) 827‐830.
salicylic acidC1=CC=C(C(=C1)C(=O)O)O3386938-06-3-2.96Dolezal, P., Hrabalek, A. and Semacky, V. (1993): Epsilon‐Aminocaproic acid esters as transdermal penetration enhancing agents. Pharm. Res., 10, 1015‐1019
butyl nicotinateCCCCOC(=O)C1=CN=CC=C18135371-00-1-1.54A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
histidineC1=C(NC=N1)CC(C(=O)O)N627471-23-8-4.25Sznitowska M, Berner B, Maibach HI. In vitro permeation of human skin by multipolar ions. Int J Pharm. 1993;99(1):43‐49
propanolCCCO103171-36-3-2.79I.H. Blank, Penetration of low molecular weight alcohols into skin. 1. The effect of concentration of alcohol and type of vehicle, J. Invest. Dermatol. 43 (1964) 415‐420
n‐butanolCCCCO26371-41-0-2.47I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
n‐pentanolCCCCCO627671-43-2-2.22Scheuplein, R.J. (1965): Mechanism of percutaneous adsorption. I. Routes of penetration and the influence of solubility. J. Invest. Dermatol., 45, 334‐346.
benzeneC1=CC=CC=C124171-55-6-0.88I. H. Blank and D. J. McAuliffe, "Penetration of Benzene through Human Skin," J. Invest. Dennatol. 85, 522‐526 (1985)
1,1,1‐trichloroethaneCC(Cl)(Cl)Cl627871-63-6-2.35I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
digitoxinCC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O44120772-69-5-4.89Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
nortriptylineCNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31454374103-06-3-2.88Melero A, Garrigues TM, Almudever P, Villodre AM, Lehr CM, Schaefer U. Nortriptyline hydrochloride skin absorption: development of a transdermal patch. Eur J Pharm Biopharm. 2008;69(2):588‐596.
ketorolacC1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O382674253-50-2-2.48Cordero, J.A., Alarcon, L., Escribano, E., Obach, R. and Domenech, J. (1997): A comparative study of the transdermal penetration of a series of nonsteroidal antiin?ammatory drugs. J. Pharm. Sci. 86, 503‐508
hydrocortisone n,n‐ dimethylsuccinateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)N(C)C)O)C)O10112508675-25-2-4.17Anderson, B.D., Higuchi, W.I. and Raykar, P.V. (1988): Heterogeneity effects on permeability‐partition coefficient relationships in human stratum corneum. Pharm. Res., 5, 566‐573
bromoformC(Br)(Br)Br555875-27-4-0.67Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
bromodichloromethaneC(Cl)(Cl)Br635975-50-3-0.74Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
TrimethylamineCN(C)C114676-03-9-3.73S.H. Kenyon, P.L. Carmichael, S. Khalaque, S. Panchal, R. Waring, R. Harris, The passage of trimethylamine across rat and human skin, Food Chem. Toxicol. 42 (2004) 1619‐1628
trichloroacetic acidC(=O)(C(Cl)(Cl)Cl)O642176-25-5-2.72Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
triamcinolone acetonideCC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C643676-57-3-4.69Siddiqui O, Roberts MS, Polack AE. Pexcutaneous absorption of steroids: relative contributions of epidermal penetration and dermal clearance. J.Pharmacokinet.Biopharm. 1989; 17(4): 405‐424
codeineCN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O5284371767-00-0-4.31Roy, S.D. and Flynn, G.L (1989): Transdermal delivery of narcotic analgesics: comparative permeabilities of narcotc analgesics through human cadaver skin. Pharm. Res., 6, 825‐832
4‐cyanophenolC1=CC(=CC=C1C#N)O1301976824-35-6-2.17Romonchuk WJ. Mechanism of enhanced dermal permeation of 4‐cyanophenol and methyl paraben from saturated aqueous solutions containing both solutes. Skin Pharmacol Physiol. 2010;23(3):152‐163.
famotidineC1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N332576963-41-2-4.79Degim T, Hadgraft J, Ilbasmis S, Ozkan Y. Prediction of Skin Penetration Using Artificial Neural Network (ANN) Modeling. J Pharm Sci. 2003;92(3):656‐664.
nizatidineCNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C303363777-28-1-4.42Degim T, Hadgraft J, Ilbasmis S, Ozkan Y. Prediction of Skin Penetration Using Artificial Neural Network (ANN) Modeling. J Pharm Sci. 2003;92(3):656‐664.
butobarbitalCCCCC1(C(=O)NC(=O)NC1=O)CC64737732-18-5-3.72Hadgraft J, Ridout G. Development of model membranes for percutaneous absorption measurements. I Isopropyl Myristate. lnt.J.Pharmaceutics 1987; 39: 149‐156
waterO96278-93-3-2.99Astley, J. P.; Levine, M. J. Pharm. Sci. 1976, 65, 210‐215
2‐butanoneCCC(=O)C656979-08-3-2.35I. H. Blank, R. J. Scheuplein, and D. J. MacFarlane, "Mechanism of Percutaneous Absorption. 111. The Effect of Temperature on the Transport of Non‐Electrolytes Across the Skin," J. Invest. Dermatol. 49,582‐589 (1967)
bromoacetic acidC(C(=O)O)Br622779-11-8-2.85Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
chloroacetic acidC(C(=O)O)Cl30079-43-6-2.95Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
dichloroacetic acidC(C(=O)O)(Cl)Cl659783463-62-1-2.72Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
bromochloroacetonitrileC(#N)C(Cl)Br5500487-66-1-0.79Trabaris M, Laskin JD, Weisel CP. Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures. J Appl Toxicol. 2012;32(6):387‐394.
pyrogallolC1=CC(=C(C(=C1)O)O)O105788-04-0-2.81du Plessis J, Pugh WJ, Judefeind A, Hadgraft J. Physico‐chemical determinants of dermal drug delivery: effects of the number and substitution pattern of polar groups. Eur J Pharm Sci. 2002;16:107‐112.
chloroxylenolCC1=CC(=CC(=C1Cl)C)O272388-06-2-1.17Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
2,4,6‐trichlorophenolC1=C(C=C(C(=C1Cl)O)Cl)Cl691488-18-6-1.06Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
o‐t‐butylphenolCC(C)(C)C1=CC=CC=C1O692389-83-8-1.12Zhang Q, Grice JE, Li P, Jepps OG, Wang GJ, Roberts MS. Skin solubility determines maximum transepidermal flux for similar size molecules. Pharm Res. 2009;26(8):1974‐1985.
thymolCC1=CC(=C(C=C1)C(C)C)O698990-89-1-1.21Chantasart D, Li SK. Relationship between the enhancement effects of chemical permeation enhancers on the lipoidal transport pathway across human skin under the symmetric and asymmetric conditions in vitro. Pharm Res. 2010;27(9):1825‐1836.
diethylcarbamazineCCN(CC)C(=O)N1CCN(CC1)C305291-64-5-3.39Michaels, A.S., Chandrasekaran, S.K. and Shaw, J.E. (1975): Drug permeation through human skin: Theory and in vitro experimental measurement. AIChE J., 21, 985‐996
coumarinC1=CC=C2C(=C1)C=CC(=O)O2323918-00-3-2.04Ritschel WA, Sabouni A, Hussain AS. Percutaneous absorption of coumarin, griseofulvin and propranolol across human scalp and abdominal skin. Methods Find Exp Clin Pharmacol. 1989;11(10):643‐646.
1,1,1‐ trichloropropanoneCC(=O)C(Cl)(Cl)Cl1351493-60-7-1.62Xu X, Mariano TM, Laskin JD, Weisel CP. Percutaneous absorption of trihalomethanes, haloacetic acids, and haloketones. Toxicol Appl Pharmacol. 2002;184:19‐26
methyl nicotinateCOC(=O)C1=CN=CC=C1715194-09-7-2.47A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
ethyl p‐aminobenzoateCCOC(=O)C1=CC=C(C=C1)N233794-13-3-1.7Roy SD, Fujiki J, Fleitman JS. Permeabilities of alkyl p‐aminobenzoates through living skin equivalent and cadaver skin. J Pharm Sci. 1993;82(12):1266‐1268.
propylparabenCCCOC(=O)C1=CC=C(C=C1)O717594-25-7-1.85Buist HE, van Burgsteden JA, Freidig AP, Maas WJ, van de Sandt JJ. New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes. Regul Toxicol Pharmacol. 2010;57(2‐3):200‐209.
butyl p‐aminobenzoateCCCCOC(=O)C1=CC=C(C=C1)N248294-26-8-1.05Roy SD, Fujiki J, Fleitman JS. Permeabilities of alkyl p‐aminobenzoates through living skin equivalent and cadaver skin. J Pharm Sci. 1993;82(12):1266‐1268.
butyl parabenCCCCOC(=O)C1=CC=C(C=C1)O718494-44-0-0.98Akomeah FK, Martin GP, Brown MB. Variability in human skin permeability in vitro: comparing penetrants with different physicochemical properties. J Pharm Sci. 2007;4:824‐834
benzyl nicotinateC1=CC=C(C=C1)COC(=O)C2=CN=CC=C2719195-48-7-1.55A. Dal Pozzo, G. Donzelli, E. Liggeri, L. Rodriguez, Percutaneous absorption of nicotinic acid derivatives in vitro, J. Pharm. Sci. 80 (1991) 54‐56
o‐cresolCC1=CC=CC=C1O33595-54-5-1.56Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
o‐phenylenediamineC1=CC=C(C(=C1)N)N724395-57-8-3.25Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
2‐chlorophenolC1=CC=C(C(=C1)O)Cl724595-65-8-1.24Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
3,4‐xylenolCC1=C(C=C(C=C1)O)C724995-83-0-1.2Roberts MS, Anderson RA, Swarbrick J. Permeability of human epidermis to phenofic compounds. J.Pharm.Pharmac. 1977; 29: 677‐683
4‐chloro‐m‐ phenylenediamineC1=CC(=C(C=C1Cl)N)N726399-57-0-2.83Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
2‐amino‐4‐nitrophenolC1=CC(=C(C=C1[N+](=O)[O-])N)O361338999-76-3-3.08Bronaugh, R.L. and Congdon, E.R. (1984): Percutaneous absorption of hair dyes: correlation with partition coefficients. J. Invest. Dermatol., 83, 124‐127
Methyl‐4‐ hydroxybenzoateCOC(=O)C1=CC=C(C=C1)O74565131-60-2-1.85Akomeah FK, Martin GP, Brown MB. Variability in human skin permeability in vitro: comparing penetrants with different physicochemical properties. J Pharm Sci. 2007;4:824‐834
DihydromorphineCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(CC4)O5359421509-60-4-4.82Chen, C. P., Chen, C. C., Huang, C. W., & Chang, Y. C. (2018). Evaluating molecular properties involved in transport of small molecules in stratum corneum: a quantitative structure-activity relationship for skin permeability. Molecules, 23(4), 911.
EphedrineCC(C(C1=CC=CC=C1)O)NC9294299-42-3-2.22Chen, C. P., Chen, C. C., Huang, C. W., & Chang, Y. C. (2018). Evaluating molecular properties involved in transport of small molecules in stratum corneum: a quantitative structure-activity relationship for skin permeability. Molecules, 23(4), 911.
HeptanolCCCCCCCO812953535-33-4-1.49Chen, C. P., Chen, C. C., Huang, C. W., & Chang, Y. C. (2018). Evaluating molecular properties involved in transport of small molecules in stratum corneum: a quantitative structure-activity relationship for skin permeability. Molecules, 23(4), 911.
Hydrocortisone hemisuccinateCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)O166232203-97-6-3.2Chen, C. P., Chen, C. C., Huang, C. W., & Chang, Y. C. (2018). Evaluating molecular properties involved in transport of small molecules in stratum corneum: a quantitative structure-activity relationship for skin permeability. Molecules, 23(4), 911.
HydroxypregnenoloneCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(O)O)C)C303257012041-98-4-3.22Chen, C. P., Chen, C. C., Huang, C. W., & Chang, Y. C. (2018). Evaluating molecular properties involved in transport of small molecules in stratum corneum: a quantitative structure-activity relationship for skin permeability. Molecules, 23(4), 911.
Dodecyl sulfateCCCCCCCCCCCCOS(=O)(=O)O8778151-41-7
ammonium dodecyl sulfateCCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+]167002235-54-3
Octoxynol 9CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO55902315-67-5
Taurocholic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C667581-24-3
Benzalkonium chlorideCC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]8478121-54-0
Poloxamer 188CC1CO1.C1CO1247519003-11-6
CetrimoniumCCCCCCCCCCCCCCCC[N+](C)(C)C26816899-10-1
TetrabutylammoniumCCCC[N+](CCCC)(CCCC)CCCC1602810549-76-5
Lithocholic acidCC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C9903434-13-9
CHAPSCC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C10767075621-03-03
CetylpyridiniumCCCCCCCCCCCCCCCC[N+]1=CC=CC=C126837773-52-6
Glycocholic acidCC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C10140475-31-0
Dodecyl alcohol, ethoxylatedCCCCCCCCCCCCOCCO247504536-30-5
Taurodeoxycholic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C2733768516-50-7
Cremophor ELC1CO1.C(C(CO)O)O10484063393-92-0
Nonoxynol 9CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO7238526571-11-9
GlycineC(C(=O)O)N75056-40-6
DocusateCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O1133910041-19-7
Docusate potassiumCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[K+]236757557491-09-0
Octyl-beta-D-glucosideCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O6285229836-26-8
Docusate sodiumCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]23673837577-11-7
Taurochenodeoxycholic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C387316516-35-8
TyloxapolCC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C(CO)O1621999225301-02-4
Docusate calciumCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Ca+2]31407128-49-4
Sodium Tetradecyl SulfateCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]23665772139-88-8
DodecyltrimethylammoniumCCCCCCCCCCCC[N+](C)(C)C815310182-91-9
Dodecyl maltosideCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O11488069227-93-6
Glycodeoxycholic acidCC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C3035026360-65-6
DimethyldioctadecylammoniumCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC788014357-21-2
SimethiconeCO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O64335168050-81-5
4-tert-OctylphenolCC(C)(C)CC(C)(C)C1=CC=C(C=C1)O8814140-66-9
DodecylamineCCCCCCCCCCCCN13583124-22-1
Dodecyl benzene sulfonic acidCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O2545747221-31-8
Glycochenodeoxycholic acidCC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C12544640-79-9
Sorbitan monooleateCCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O99203421338-43-8
Sorbitan monooleateCCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O64332711338-43-8
Alkylbenzyl sulfonic acidCCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]236919652211-99-6
TetradecyltrimethylammoniumCCCCCCCCCCCCCC[N+](C)(C)C1425110182-92-0
Tetradecyltrimethylammonium bromideCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]142501119-97-7
PolyornithineC(CC(C(=O)O)N)CN626270-26-8
Taurolithocholic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C439763516-90-5
2,4-DiacetylphloroglucinolCC(=O)C1=C(C(=C(C=C1O)O)C(=O)C)O165472161-86-6
CetomacrogolCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO27242599004-95-9
TericsCCCCCCCCCC1=CC=CC=C1OCCO17109227986-36-3
Macrogol [BAN:JAN]C(CO)O1352974449002-90-8
MonolaurinCCCCCCCCCCCC(=O)OCC(CO)O14871142-18-7
2,3-Dihydroxypropyl-Eicosanoic EsterCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O324694430208-87-8
DecyltrimethylammoniumCCCCCCCCCC[N+](C)(C)C1638915053-09-05
Lauramine oxideCCCCCCCCCCCC[N+](C)(C)[O-]154331643-20-5
EthoniumCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCCC.[Cl-].[Cl-]3086921954-74-5
3-(Dodecyldimethylammonio)propanesulfonateCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]8470314933-08-5
Dodecyloctaethyleneglycol monoetherCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO1239213055-98-9
DelmopinolCCCC(CCC)CCCC1COCCN1CCO5733779874-76-3
Sodium lauroylsarcosinateCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]23668817137-16-6
Polysorbate 40 [USAN:INN:BAN:NF]CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO923295799005-66-7
N-Octyl-beta-D-thioglucopyranosideCCCCCCCCSC1C(C(C(C(O1)CO)O)O)O65690985618-21-9
Tetronic 701CC(CN(CCN(CC(C)OCC(C)OCCO)CC(C)OCC(C)OCCO)CC(C)OCC(C)OCCO)OCC(C)OCCO8627817326316-40-5
Cetalkonium chlorideCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]31202122-18-9
NPG-GMACC(=C)C(=O)OCC(CN(CC(=O)O)C1=CC=CC=C1)O943024896-81-5
ViscosinCCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)C(C)CC)C)O7293727127-62-4
CethexoniumCCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O1109266810-42-0
beta-Alanine, N-(2-aminoethyl)-N-(2-(2-carboxyethoxy)ethyl)-, norcoco acyl derivs., disodium saltsCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]202804292-10-8
Hyaluronic acidCC(=O)NC1CC(C(OC1OC2C(C(C(OC2C(=O)[O-])O)O)O)CO)O.[Na+]236633929004-61-9
Isopropyl alcoholCC(C)O377667-63-0
Propylene glycolCC(CO)O103057-55-6
Lauric acidCCCCCCCCCCCC(=O)O3893143-07-7
Linoleic acidCCCCCC=CCC=CCCCCCCCC(=O)O528045060-33-3
Ethyl acetateCCOC(=O)C8857141-78-6
Butyl acetateCCCCOC(=O)C31272123-86-4
Methyl acetateCC(=O)OC658479-20-9
Isopropyl myristateCCCCCCCCCCCCCC(=O)OC(C)C8042110-27-0
Isopropyl palmitateCCCCCCCCCCCCCCCC(=O)OC(C)C8907142-91-6
Benzalkonium chlorideCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]13740959-55-7
Cetylpyridinium chlorideCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]31239123-03-5
Cetyltrimethylammonium bromideCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]597457-09-0
Polysorbate 20CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO4433149005-64-5
Polysorbate 80CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO52844489005-65-6
Dodecyl betaineCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-].[Na+].[Cl-]1268611140-78-6
Dimethyl sulphoxideCS(=O)C67967-68-5
d-LimoneneCC1=CCC(CC1)C(=C)C4409175989-27-5
l-MentholCC1CCC(C(C1)O)C(C)C1666689-78-1
EUCALYPTOLCC1(C2CCC(O1)(CC2)C)C2758470-82-6
2-pyrrolidoneC1CC(=O)NC112025616-45-5
4-decyloxazolidin-2-oneCCCCCCCCCCC1COC(=O)N1102201907693-82-5
PhosphatidylcholineCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC1016978571259-34-2
Caprylic acidCCCCCCCC(=O)O379124-07-02
Capric acidCCCCCCCCCC(=O)O2969334-48-5
Myristic acidCCCCCCCCCCCCCC(=O)O11005544-63-8
Palmitic acidCCCCCCCCCCCCCCCC(=O)O98557-10-3
Stearic acidCCCCCCCCCCCCCCCCCC(=O)O528157-11-4
Lauryl alcoholCCCCCCCCCCCCO8193112-53-8
Myristyl alcoholCCCCCCCCCCCCCCO8209112-72-1
Cetyl alcoholCCCCCCCCCCCCCCCCO268236311-34-9
Oleyl alcoholCCCCCCCCC=CCCCCCCCCO5284499143-28-2
Linoleyl alcoholCCCCCC=CCC=CCCCCCCCCO5365682506-43-4
Linolenyl alcoholCCC=CCC=CCC=CCCCCCCCCO6436081506-44-5
MenthoneCC1CCC(C(=O)C1)C(C)C2644714073-97-3
PulegoneCC1CCC(=C(C)C)C(=O)C1698815932-80-6
FenchoneCC1(C2CCC(C2)(C1=O)C)C145251195-79-5
piperitoneCC1=CC(=O)C(CC1)C(C)C698789-81-6
Cyclohexene oxideC1CCC2C(C1)O29246286-20-4
Limonene oxideCC(=C)C1CCC2(C(C1)O2)C914961195-92-2
Pinene oxideCC1(C2CC1C3(C(C2)O3)C)C915081686-14-2
Cyclopentene oxideC1CC2C(C1)O29244285-67-6
AscaridoleCC(C)C12CCC(C=C1)(OO2)C10545512-85-6
7-Oxabicylo- (2-2-1)heptaneC1CC2CCC1O29234279-49-2
alpha PineneCC1=CCC2CC1C2(C)C665425766-18-1
3-CareneCC1=CCC2C(C1)C2(C)C2604974806-04-5
alpha TerpineolCC1=CCC(CC1)C(C)(C)O1710098-55-5
Terpinen-4-olCC1=CCC(CC1)(C(C)C)O11230562-74-3
CarveolCC1=CCC(CC1O)C(=C)C743899-48-9
CarvoneCC1=CCC(CC1=O)C(=C)C743999-49-0
N-Methyl-2-pyrrolidoneCN1CCCC1=O13387872-50-4
1-Ethyl-2-pyrrolidoneCCN1CCCC1=O175952687-91-4
N-Hexyl-2-pyrrolidoneCCCCCN1CCCC1=O1198972265032-11-3
5-Methyl-2-pyrrolidoneCC1CCC(=O)N166055108-27-0
1,5-Dimethyl-2-pyrrolidoneCC1CCC(=O)N1C1011945075-92-3
2-Pyrrolidone5-carboxylic acidC1CC(=O)NC1C(=O)O499149-87-1
N-Lauryl-2-pyrrolidoneCCCCCCCCCCCCN1CCCC1=O624592687-96-9
1-Methyl-3-dodecyl2-pyrrolidoneCCCCCCCCCCCCC1CCN(C1=O)C67554224
1-UndecanolCCCCCCCCCCCO8184112-42-5
N,N-DimethylhexanamideCCCCCC(=O)N(C)C220845830-30-8
N,N-DimethylheptanamideCCCCCCC(=O)N(C)C142211115-96-4
N,N-DimethyloctanamideCCCCCCCC(=O)N(C)C142401118-92-9
N,N-DimethylnonanamideCCCCCCCCC(=O)N(C)C1386946225-08-7
2-(1-Butyl)-2-methyl-1,3 dioxolaneCCCCC1(OCCO1)C56004214447-27-9
2-(1-Hexyl)-2-methyl-1,3 dioxolaneCCCCCCC1(C)OCCO170307937-94-0
1-Decyl-β-D-glucopyranosideCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O6214258846-77-8
1,2-Dihydroxypropyl octanoateCCCCCCCC(=O)OCC(CO)O3033877502-54-5
1,2-Dihydroxypropyl decanoateCCCCCCCCCC(=O)OC(C(C)O)O929262277-23-8
1-Butyl-2-piperidinoneCCCCN1CCCCC1=O103746614789-08-6
1-Butyl-2-pyrrolidoneCCCCN1CCCC1=O189843470-98-2
1-Hexyl-2-azacycloheptanoneCCCCCCN1CCCCCC1=O18153737672-43-8
1,2-HexanediolCCCCC(CO)O943356920-22-5
1,2-OctanediolCCCCCCC(CO)O142311117-86-8
1,2,3-NonanetriolCCCCCCC(C(CO)O)O14283774102439-69-0
2-HexanolCCCCC(C)O12297626-93-7
3-HexanolCCCC(CC)O12178623-37-0
2-HeptanolCCCCCC(C)O10976543-49-7
3-HeptanolCCCCC(CC)O11520589-82-2
4-HeptanolCCCC(CCC)O11513589-55-9
2-OctanolCCCCCCC(C)O20083123-96-6
3-OctanolCCCCCC(CC)O11527589-98-0
4-OctanolCCCCC(CCC)O11515589-62-8
2-NonanolCCCCCCCC(C)O12367628-99-9
3-NonanolCCCCCCC(CC)O12216624-51-1
4-NonanolCCCCCC(CCC)O222175932-79-6
5-NonanolCCCCC(CCCC)O12202623-93-8
cis-3-Penten-1-olCC=CCCO5364628764-38-5
cis-3-Hexen-1-olCCC=CCCO5281167928-96-1
cis-3-Octen-1-olCCCCC=CCCO536451920125-84-2
cis-3-Nonen-1-olCCCCCC=CCCO536463110340-23-5
trans-3-Hexen-1-olCCC=CCCO5284503544-12-7
2-PhenoxyethanolC1=CC=C(C=C1)OCCO31236122-99-6
2-Ethylhexyl salicylateCCCCC(CC)COC(=O)C1=CC=CC=C1O8364118-60-5
SalicylaldehydeC1=CC=C(C(=C1)C=O)O699890-02-8
Butylated hydroxyanisoleCC(C)(C)C1=C(C=CC(=C1)OC)O8456121-00-6
ThymolCC1=CC(=C(C=C1)C(C)C)O6989499-75-2
CarvacrolCC1=C(C=C(C=C1)C(C)C)O10364112-37-8
Undecanoic acidCCCCCCCCCCC(=O)O8180638-53-9
Tridecanoic acidCCCCCCCCCCCCC(=O)O125301002-84-2
Pentadecanoic acidCCCCCCCCCCCCCCC(=O)O13849141-22-0
Ricinoleic acidCCCCCCC(CC=CCCCCCCCC(=O)O)O64368421245-02-3
Padimate OCCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C3054159227-89-3
AzoneCCCCCCCCCCCCN1CCCCCC1=O42981698-67-9
AlaptideCC1C(=O)NC2(CCCC2)C(=O)N111932990058-29-0
Nonanoic acidCCCCCCCCC(=O)O8158112-05-0
Eicosanoic acidCCCCCCCCCCCCCCCCCCCC(=O)O10467506-30-9
Docosanoic acidCCCCCCCCCCCCCCCCCCCCCC(=O)O8215112-85-6
Tetracosanoic acidCCCCCCCCCCCCCCCCCCCCCCCC(=O)O11197557-59-5
2,2-Dimethyl pentanoic acidCCCC(C)(C)C(=O)O144551185-39-3
2,2-Dimethyl heptanoic acidCCCCCC(C)(C)C(=O)O980186914250-73-8
2,2-Dimethyl octanoic acidCCCCCCC(C)(C)C(=O)O6284729662-90-6
2-Heptyl undecanoic acidCCCCCCCCCC(CCCCCCC)C(=O)O1451363222890-21-7
cis-9-Tetradecenoic acidCCCCC=CCCCCCCCC(=O)O5281119544-64-9
cis-9-Hexadecenoic acidCCCCCCC=CCCCCCCCC(=O)O445638373-49-9
cis-11-Octadecenoic acidCCCCCCC=CCCCCCCCCCC(=O)O5282761506-17-2
cis-6-Octadecenoic acidCCCCCCCCCCCC=CCCCCC(=O)O5281125593-39-5
cis-11-Eicosenoic acidCCCCCCCCC=CCCCCCCCCCC(=O)O52827685561-99-9
cis-13-Docosenoic acidCCCCCCCCC=CCCCCCCCCCCCC(=O)O5281116112-86-7
Methyl propionateCCC(=O)OC11124554-12-1
Methyl pentanoateCCCCC(=O)OC12206624-24-8
Diethyl decanedioateCCOC(=O)CCCCCCCCC(=O)OCC8049110-40-7
Methyl laurateCCCCCCCCCCCC(=O)OC8139111-82-0
Ethyl oleateCCCCCCCCC=CCCCCCCCC(=O)OCC5363269111-62-6
Isopropyl decanoateCCCCCCCCCC(=O)OC(C)C168332311-59-3
Sucrose laurateCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C2(C(C(C(O2)CO)O)O)CO536077625339-99-5
1-OctadecanolCCCCCCCCCCCCCCCCCCO8221112-92-5
12-Methyl-1-tridecanolCC(C)CCCCCCCCCCCO1087853321987-21-3
14-Methyl-1-pentadecanolCC(C)CCCCCCCCCCCCCO528326520194-48-3
Isostearyl alcoholCC(C)CCCCCCCCCCCCCCCO6282527458-93-1
GeraniolCC(=CCCC(=CCO)C)C637566106-24-1
LinaloolCC(=CCCC(C)(C=C)O)C654978-70-6
TerpinoleneCC1=CCC(=C(C)C)CC111463586-62-9
NerolidolCC(=CCCC(=CCCC(C)(C=C)O)C)C52845077212-44-4
FarnesolCC(=CCCC(=CCCC(=CCO)C)C)C445070106-28-5
Peppermint oilCC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC2=C(C1)OC=C2C.CC1CCC(=C(C)C)C(=O)C168507418006-90-4
Fennel oilCC=CC1=CC=C(C=C1)OC.CC1(C2CCC(C2)(C1=O)C)C.COC1=CC=C(C=C1)CC=C68507408006-84-6
TranscutolCCOCCOCCO8146111-90-0
Dodecyl glucosideCCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O9332159122-55-3
Sucrose monostearateCCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC1(CO)OC2OC(CO)C(O)C(O)C2O14515659136152-91-5
alpha-cyclodextrinC(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O44491310016-20-3
PhosphatidylcholineCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC549710326853-31-6
Polyoxyethylene (20) sorbitant monostearate (Tween 60)CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OCCO)OCCO)O228333899005-67-8
Sorbitan monolaurateCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O110462391338-39-2
Sorbitan monopalmitateCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O7068730526266-57-9
Sorbitan monostearateCCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O162186001338-41-6
Polyoxyethylene (4) lauryl ether (Brij-30)CCCCCCCCCCCCOCCO247509002-92-0
Polyoxyethylene (23) lauryl ether (Brij-35)CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO272425868439-50-9
Polyoxyethylene (2) cetyl ether (Brij-52)CCCCCCCCCCCCCCCCOCCOCCO43036865274-61-3
Polyoxyethylene (2) stearyl ether (Brij-72)CCCCCCCCCCCCCCCCCCOCCO750509005-00-9
Polyoxyethylene (20) oleyl ether (Brij-98)CCCCCCCCC=CCCCCCCCCOCCO53647139004-98-2
Sucrose-6,6-dilaurateCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CCCCCCCCCCC)O)O)CO)O)O)O2163029620881-06-5
Sucrose-1,6-dilaurateCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCC)OC2C(C(C(C(O2)CO)O)O)O)O)O21630295335281-15-7
Sucrose-6-oleateCCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O983027513102-49-3
Sucrose-6'-oleateCCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O643803725496-92-8
Sucrose palmitate (P-1670)CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O1123858113039-41-3
Sucrose myristate (M-1695)CCCCCCCCCCCCCC(=O)OCC1(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O9937484200615-17-4
2-pyrrolidone-5-carboxylic acid (2PC)C1CC(=O)NC1C(=O)O499149-87-1
1,3-diphenylureaC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C27595102-07-8
1,3-diphenylthioureaC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2700999102-08-9
1,3-didodecylureaCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCC5339213542-20-9
1-dodecyl-3-methylthioureaCCCCCCCCCCCCNC(=S)NC51517456430-76-8
1-dodecyl-3- phenylthioureaCCCCCCCCCCCCNC(=S)NC1=CC=CC=C1275873263980-78-9
1-dodecylureaCCCCCCCCCCCCNC(=O)N750912158-09-0
7-Aminoheptanoic (7-AHE) acidC(CCCN)CCC(=O)O13580929-17-9
GlycolsCCCCCCCCCCCC(CO)O308630790091-76-2
Polypropylene GlycolCC(CO)OCC(C)O32881106-62-7