BGC > Product Search > 1R,2S,3S Aprepitant | 172822-28-5

Description :
An isomer of Aprepitant, a medication used to prevent chemotherapy-induced nausea and vomiting (CINV) and to prevent postoperative nausea and vomiting.

• Molecular Weight :534.44
• Purity :> 95%

Molecular Formula :
C23H21F7N4O3
Canonical SMILES :
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
InChI :
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
InChIKey :
ATALOFNDEOCMKK-CFGAKRJMSA-N
Appearance :
Solid powder
Synonyms :
5-(((2S,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one

More details are to be found here