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Chemical structure of Voriconazole N-oxide

GC45151

Voriconazole N-oxide

Also known as (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-1-oxidopyrimidin-1-ium-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Voriconazole N-oxide is a major metabolite of the triazole antifungal voriconazole

ChemicalCAS618109-05-0MW365.3FormulaC16H14F3N5O2
CAS number
618109-05-0
Molecular weight
365.3
Formula
C16H14F3N5O2
Solubility
Chloroform: slightly soluble,Methanol: slightly soluble
InChIKey
KPLFPLUCFPRUHU-MGPLVRAMSA-N
Catalogue number
GC45151
Brand
GLPBIO
Computed properties PubChem CID 10044355 · XLogP 0.5 · TPSA 89.3 Ų · H-bond donors 1
XLogP
0.5
TPSA
89.3 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

SMILES C[C@@H](C1=NC=[N+](C=C1F)[O-])[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

Computed descriptors from PubChem (CID 10044355), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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