Chemical Compound

Fosaprepitant

CAS Registry Number 172673-20-0
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Fosaprepitant chemical structure
Primary Record

Fosaprepitant

In stock
1,272 g
Purity
98.3 %
CAS
172673-20-0

Compound Identifiers & Properties

CAS
172673-20-0
PubChem CID
137138796
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)(O)O)C4=CC=C(C=C4)F
Canonical SMILES
C[C@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

  • Fosaprepitant
  • Fosaprepitant Impurity 4
  • ZINC306122905
  • ACN-047992
  • B1272
  • (3-(((2R,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • 172673-20-0
  • 3-(((2R,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-ylphosphonic acid