Chemical Compound

Fosaprepitant Impurity 40

Fosaprepitant Impurity 40 chemical structure
Primary Record

Fosaprepitant Impurity 40

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
176476524
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)N3P(=O)(O)OCC4=CC=CC=C4)P(=O)(O)OCC5=CC=CC=C5)C6=CC=C(C=C6)F
Canonical SMILES
C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)OCc3ccccc3)c(=O)n2P(=O)(O)OCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

  • Fosaprepitant Impurity 40
  • Fosaprepitant Impurity 51
  • dibenzyl (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)bis(hydrogen phosphonate)