Fosaprepitant Dibenzyl Ester Impurity
[CAS# 265121-01-5]

Identification

• Name: Fosaprepitant Dibenzyl Ester Impurity
• Synonyms: 2-bis(phenylmethoxy)phosphoryl-5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-4H-1,2,4-triazol-3-one
• Molecular Formula: C₃₇H₃₄F₇N₄O₆P
• Molecular Weight: 794.65
• CAS Registry Number: 265121-01-5
• SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)F

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.582, Calc.^*
• Boiling Point: 697.9±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 375.9±34.3 ºC, Calc.^*

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