Saperconazole
[CAS# 110588-57-3]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Antifungal drugs
• Name: Saperconazole
• Synonyms: 4-[4-[4-[4-[[(2S,4R)-2-(2,4-Difluorophenyl)-2-(1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-2-Sec-Butyl-1,2,4-Triazol-3-One; 4-[4-[4-[4-[[(2S,4R)-2-(2,4-Difluorophenyl)-2-(1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]-1-Piperazinyl]Phenyl]-2-Sec-Butyl-1,2,4-Triazol-3-One; R-66905
• Molecular Formula: C₃₅H₃₈F₂N₈O₄
• Molecular Weight: 672.73
• CAS Registry Number: 110588-57-3
• SMILES: [C@]1(O[C@@H](CO1)COC5=CC=C(N4CCN(C3=CC=C(N2C(=O)N(N=C2)C(CC)C)C=C3)CC4)C=C5)(C6=CC=C(F)C=C6F)C[N]7N=CN=C7
• InChI: 1S/C35H38F2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m1/s1
• InChIKey: HUADITLKOCMHSB-AVQIMAJZSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 812.541°C at 760 mmHg (Cal.)
• Flash point: 445.209°C (Cal.)