Molecular Identity
Voriconazole
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID: 71616
Voriconazole is a triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. It has a role as a P450 inhibitor. It is a tertiary alcohol, a difluorobenzene, a member of pyrimidines, a conazole antifungal drug and a triazole antifungal drug.
2D Structure
Properties
C16H14F3N5O
Molecular Formula
349.31
Molecular Weight
g/mol
349.1150
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
76.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
448
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Voriconazole137234-62-9Vfend(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-olUK-109496Voriconazol(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-olVoriconazolumUK-109,496UK 109496JFU09I87TRNSC-759888(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanolDTXSID5046485CHEBI:10023
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Voriconazole
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