API reference
Aprepitant
- CAS number
- 170729-80-3
- Molecular formula
- C23H21F7N4O3
- Molecular weight
- 534.4 g/mol
About this molecule
Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV).
Source: DrugBank, via PubChem.
Identifiers
- IUPAC name
- 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
- InChIKey
- ATALOFNDEOCMKK-OITMNORJSA-N
- 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=NNC(=O)N3)C4=CC=C(C=C4)F
- Other CAS numbers recorded
- 321125-94-4
- PubChem CID
- 135413536
Also known as
Aprepitant · MK-869 · Aponvie · Cinvanti · aprepitantum · L-754,030 · L 754,030 · A04AD12
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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