Aprepitant EP Impurity C
[CAS# 2348441-63-2]

Identification

• Name: Aprepitant EP Impurity C
• Synonyms: 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4'-fluorobiphenyl-4-yl)morpholin-4-yl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
• Molecular Formula: C₂₉H₂₅F₇N₄O₃
• Molecular Weight: 610.52
• CAS Registry Number: 2348441-63-2
• SMILES: O=C1NN=C(CN2[C@@H](C3=CC=C(C4=CC=C(F)C=C4)C=C3)[C@@H](O[C@@H](C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)C)OCC2)N1

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.580, 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