Primary Record
Aprepitant Impurity 76
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 176476525
- 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)CC4=NNC(=O)N4)C5=CC=C(C=C5)F
- Canonical SMILES
- C[C@@H](O[C@H]1OCCN(Cc2nn(Cc3n[nH]c(=O)[nH]3)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Names & Synonyms
- Aprepitant Impurity 76
- Fosaprepitant Impurity 52
- 3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one