Posaconazole Diastereoisomer 6 (R,R,R,S)
[CAS# 171228-50-5]

Identification

• Name: Posaconazole Diastereoisomer 6 (R,R,R,S)
• Synonyms: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
• Molecular Formula: C₃₇H₄₂F₂N₈O₄
• Molecular Weight: 700.78
• CAS Registry Number: 171228-50-5
• SMILES: CC[C@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.658, Calc.^*
• Boiling Point: 850.7±75.0 ºC (760 mmHg), Calc.^*
• Flash Point: 468.3±37.1 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319
• Precautionary Statements: P261-P271-P280-P302+P352-P305+P351+P338