ABC00199FK

Aprepitant

Aprepitant comprises a (2S)-configured pyrrolidine ring tethered to a 2,4,5-trifluorobenzyl moiety via a 4-oxobutyl linker, with an amide bond connecting to a 3,4-dichlorophenyl group. The structure incorporates three trifluoromethyl substituents, a pyrrolidine heterocycle, and an amide linkage, enhancing metabolic stability and receptor binding affinity. As the parent API, it retains the complete structural configuration necessary for neurokinin-1 receptor antagonism. Serves as an HPLC reference standard for API purity analysis in pharmaceutical formulations.

On Request
Molecular Formula C23H21F7N4O3
Molecular Weight 534.4000
CAS Number 170729-80-3 ✓ Verified
PubChem CID 135413536 ↗
Purity N/A
Product Type API
Parent Drug Aprepitant
Lead Time On Request
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
Official Reference Standards
Std Catalog # Quantity Price
EP Y0001825 ↗ 150 MG EUR 90.00
USP 1041904 ↗ 150 mg USD 381.00

📝 Synonyms

Aprepitant 170729-80-3 MK-869 MK-0869 Aponvie Cinvanti L-754030 ONO-7436 aprepitantum 1NF15YR6UY

🔬 Chemical Identifiers

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
InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
ATALOFNDEOCMKK-OITMNORJSA-N

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