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Voriconazole-[d3] N-Oxide

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General Information
Catalog: BLP-012659
CAS: 1217851-84-7
Molecular Formula: C16H11D3F3N5O2
Molecular Weight: 368.33

Chemical Structure

Description	Voriconazole-[d3] N-Oxide is the labelled analogue of Voriconazole, which has been found to be an ergosterol biosynthesis inhibitor and could be used as an antifungal agent.
Synonyms	Voriconazole-d3 N-Oxide; (αR,βS)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-d3-α-(1H-1,2,4-triazol-1-ylmethyl)-1-oxide-4-pyrimidineethanol
IUPAC Name	(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
Related CAS	618109-05-0 (unlabelled)
Canonical SMILES	CC(C1=NC=[N+](C=C1F)[O-])C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI	InChI=1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1/i1D3
InChI Key	KPLFPLUCFPRUHU-QLWAGJNOSA-N
Melting Point	67-69 °C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C, under inert atmosphere