Posaconazole 3-OXO impurity
[CAS# 357189-94-7]

Identification

• Name: Posaconazole 3-OXO impurity
• Synonyms: 2-[(1S,2S)-1-Ethyl-2-hydroxypropyl]-4-[4-[2-oxo-4-[4-[[(3R)-5-(2,4-difluorophenyl)-5beta-(1H-1,2,4-triazole-1-ylmethyl)tetrahydrofuran-3beta-yl]methoxy]phenyl]piperazino]phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-one
• Molecular Formula: C₃₇H₄₀F₂N₈O₅
• Molecular Weight: 714.76
• CAS Registry Number: 357189-94-7
• SMILES: CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3=O)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: 1.666, Calc.^*
• Boiling Point: 911.5±75.0 ºC (760 mmHg), Calc.^*
• Flash Point: 505.0±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