Fosaprepitant Impurity 1

Compound Identifiers & Properties

PubChem CID

169440773

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.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Canonical SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.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