(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
[CAS# 618109-05-0]

Identification

• Name: (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
• Synonyms: Voriconazole N-Oxide
• Molecular Formula: C₁₆H₁₄F₃N₅O₂
• Molecular Weight: 365.31
• CAS Registry Number: 618109-05-0
• SMILES: Fc1c[n+]([O-])cnc1[C@@H]([C@@](O)(c2ccc(F)cc2F)Cn3ncnc3)C
• 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
• InChIKey: KPLFPLUCFPRUHU-MGPLVRAMSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 569.513°C at 760 mmHg (Cal.)
• Flash point: 298.231°C (Cal.)
• Refractive index: 1.622 (Cal.)