CAS Number
Molecular Formula
C23H22F6N4O4
Product format
Neat
Molecular Weight
532.44
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
172673-23-3; Aprepitant N-Oxide; 3-[[(2R, 3S)-2-[(1R)-1-[3, 5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxidomorpholin-4-ium-4-yl]methyl]-1, 4-dihydro-1, 2, 4-triazol-5-one; AprepitantN-Oxide; Aprepitant Impurity 35; (2R, 3S)-2-((R)-1-(3, 5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-((5-oxo-4, 5-dihydro-1H-1, 2, 4-triazol-3-yl)methyl)morpholine 4-oxide; [2R-[2a(R*), 3a]]-5-[[2-[1-[3, 5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxido-4-morpholinyl]methyl]-1, 2-dihydro-3H-1, 2, 4-triazol-3-one; Aprepitant Impurity 12; DTXSID801100055; [2R-[2alpha(R*), 3alpha]]-5-[[2-[1-[3, 5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxido-4-morpholinyl]methyl]-1, 2-dihydro-3H-1, 2, 4-triazol-3-one; 3-(((2R, 3S)-2-((R)-1-(3, 5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1, 2, 4-triazol-5(4H)-one N-oxide; (2R, 3S)-2-((R)-1-(3, 5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-((5-oxo-4, 5-dihydro-1H-1, 2, 4-triazol-3-yl)methyl)morpholine4-oxide; 3H-1, 2, 4-Triazol-3-one, 5-[[2-[1-[3, 5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxido-4-morpholinyl]methyl]-1, 2-dihydro-, [2R-[2I+/-(R*) and 3I+/-]]-
Iupac Name
3-[[(2R, 3S)-2-[(1R)-1-[3, 5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxidomorpholin-4-ium-4-yl]methyl]-1, 4-dihydro-1, 2 and 4-triazol-5-one
InChI
InChI=1S/C23H21F7N4O4/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)38-20-19(13-2-4-17(24)5-3-13)34(36,6-7-37-20)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-,34?/m1/s1
