Molecular Identity
Fluconazole
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID: 3365
Fluconazole is a member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. It has a role as a xenobiotic, a P450 inhibitor and an environmental contaminant. It is a tertiary alcohol, a difluorobenzene, a conazole antifungal drug and a triazole antifungal drug. It is functionally related to a 1,3-difluorobenzene. It derives from a hydride of a 1H-1,2,4-triazole.
2D Structure
Properties
C13H12F2N6O
Molecular Formula
306.27
Molecular Weight
g/mol
306.1041
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
81.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
358
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OSynonyms(20)
fluconazole86386-73-4DiflucanTriflucanBiozoleneElazorFluconazolZoltecFlucostatdifluconazoleFluconazolumFlucazolFlunizolPritenzol2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fluconazole
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