(2S,3S,1’R)-Aprepitant


CAS No. : 172822-28-5

(2S,3S,1’R)-Aprepitant,172822-28-5
Product Details
Cat No:R033264
Synonyms:[2S-[2α(S*),3β]]-5-[[2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Molecular Formula:C23H21F7N4O3
Molecular Weight:534.435
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Cat No:R033264
Cas No:172822-28-5
Product-Name:(2S,3S,1’R)-Aprepitant
IUPAC Name:5-[[(2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
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
SMILES:CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
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