Posaconazole Impurity 31
[CAS# 170985-61-2]

Identification

• Name: Posaconazole Impurity 31
• Synonyms: 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2R,3R)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₃₇H₄₂F₂N₈O₄
• Molecular Weight: 700.78
• CAS Registry Number: 170985-61-2
• 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