Primary Record
Aprepitant
- In stock
- 7,788 g
- Purity
- 98.3 %
- CAS
- 170729-80-3
Compound Identifiers & Properties
- CAS
- 170729-80-3
- PubChem CID
- 136132452
- SMILES
- C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CCCN([C@H]2C3=CC=C(C=C3)F)CC4=NNC(=O)N4
- Canonical SMILES
- C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Names & Synonyms
- Aprepitant
- GLJSXTIFQNHMIV-XFPJRNFQSA-N
- AKOS025401363
- ZINC100022593
- AC-1281
- BC677637
- 170729-80-3
- 3-[[(2S,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one