Des-1,2,4-triazol-3-one-5-methyl (2R,3R,2-(S))-Aprepitant Hydrochloride
[CAS 1333998-21-2]

Identification

• Name: Des-1,2,4-triazol-3-one-5-methyl (2R,3R,2-(S))-Aprepitant Hydrochloride
• Synonyms: (2R,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine hydrochloride (1:1)
• Molecular Formula: C₂₀H₁₉ClF₇NO₂
• Molecular Weight: 473.81
• CAS Registry Number: 1333998-21-2
• SMILES: C1N[C@@H]([C@H](OC1)O[C@H](C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)C3=CC=C(C=C3)F.Cl

Safety Data

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