Chemical Compound

Aprepitant

CAS Registry Number 170729-80-3
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Aprepitant chemical structure
Primary Record

Aprepitant

In stock
7,788 g
Purity
98.3 %
CAS
170729-80-3

Compound Identifiers & Properties

CAS
170729-80-3
PubChem CID
135966487
SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
Canonical SMILES
CC(O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

  • Aprepitant
  • SCHEMBL2687974
  • SCHEMBL23420636
  • C23H21F7N4O3
  • AS-35079
  • 170729-80-3
  • 5-(((2R,3S)-2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one