Chemical Compound

Aprepitant

CAS Registry Number 170729-80-3
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
10280285
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3NC(=O)NN3)C4=CC=C(C=C4)F
Canonical SMILES
C[C@@H](O[C@H]1OCCN(CC2NNC(=O)N2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

  • Aprepitant
  • Fosaprepitant Impurity 23
  • RTR-007485
  • CID10280285
  • CID 10280285
  • 170729-80-3
  • 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2,4-triazolidin-3-one
  • 5-[2(R)-[1(R)-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3(S)-(4-FLUOROPHENYL)MORPHOLIN-4-YLMETHYL]-3,4-DIHYDRO-2H-1,2,4-TRIAZOL-3-ONE
  • 5-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2,3-dihydro-1H-1,2,4-triazol-3-one