ent-Aprepitant
[CAS# 172822-29-6]

Identification

• Name: ent-Aprepitant
• Synonyms: 5-[[(2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
• Molecular Formula: C₂₃H₂₁F₇N₄O₃
• Molecular Weight: 534.43
• CAS Registry Number: 172822-29-6
• EC Number: 807-169-7

Properties

• Solubility: Insoluble (1.1E^-4 g/L) (25 °C), Calc.^*
• Density: 1.51±0.1 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	4	H413
Acute toxicity	Acute Tox.	4	H302