Posaconazole Impurity B
[CAS 357189-95-8]

Identification

• Name: Posaconazole Impurity B
• Synonyms: N-[2-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-N-formylanilino]ethyl]-N-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]formamide
• Molecular Formula: C₃₇H₄₀F₂N₈O₆
• Molecular Weight: 730.76
• CAS Registry Number: 357189-95-8
• SMILES: CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N(CCN(C=O)C3=CC=C(C=C3)OC[C@H]4C[C@](OC4)(CN5C=NC=N5)C6=C(C=C(C=C6)F)F)C=O

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.640, Calc.^*
• Boiling Point: 904.9±75.0 °C (760 mmHg), Calc.^*
• Flash Point: 501.1±37.1 °C, Calc.^*

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

Safety Data

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