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Chemical structure of Voriconazole-d3 N-oxide

GC91499

Voriconazole-d3 N-oxide

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

Voriconazole-d3 N-oxide is intended for use as an internal standard for the quantification of voriconazole N-oxide by GC- or LC-MS

ChemicalCAS1217851-84-7MW368.3FormulaC16H11D3F3N5O2
CAS number
1217851-84-7
Molecular weight
368.3
Formula
C16H11D3F3N5O2
Solubility
Ethanol： Slightly soluble： 0·1–1 mg/ml,Methanol： Slightly soluble： 0·1–1 mg/ml
InChIKey
KPLFPLUCFPRUHU-QLWAGJNOSA-N
Catalogue number
GC91499
Brand
GLPBIO
Computed properties PubChem CID 45040696 · 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 [2H]C([2H])([2H])[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 45040696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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