Efinaconazole
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Identity
Efinaconazole
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID: 489181
Efinaconazole is a member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes). It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a member of piperidines, a tertiary alcohol, an organofluorine compound, a tertiary amino compound, an olefinic compound, a conazole antifungal drug and a triazole antifungal drug.
2D Structure
Properties
C18H22F2N4O
Molecular Formula
348.40
Molecular Weight
g/mol
348.1762
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
54.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
470
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3Isomeric SMILES
SMILES: C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3Synonyms(20)
EFINACONAZOLE164650-44-6(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-olJUBLIAKP-103efinaconazolClenafinKP103Kp 103efinaconazolumIDP-108J82SB7FXWBCHEBI:82718(2r,3r)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-
Data from PubChem (NCBI)
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