Primary Record
Aprepitant
- In stock
- 5,564 g
- Purity
- 98.2 %
- CAS
- 172822-29-6
Compound Identifiers & Properties
- CAS
- 172822-29-6
- PubChem CID
- 135506333
- SMILES
- C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
- Canonical SMILES
- C[C@@H](OC1OCCN(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
- D08WIN
- Aprepitant Related Compound B
- CHEMBL135613
- SCHEMBL12228634
- SCHEMBL16770383
- ATALOFNDEOCMKK-PAXFEQQMSA-N
- MK-869
- BDBM50106711
- CID9936947
- 5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
- 172822-29-6
- 221350-96-5
- 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one ((S,R,S)-Aprepitant)