ent-Defluoro Aprepitant

• Synonyms:

  3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-1H-1,2,4-triazol-5(4H)-one

• Hazard Statement:

  No Data Available

• Smiles:

  O=C1NC(CN2CCO[C@H]([C@H]2C3=CC=CC=C3)O[C@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)=NN1

• Molecular Formula:

  C23H22F6N4O3

• Molecular Weight:

  516.44

• InChI:

  InChI=1S/C23H22F6N4O3/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)36-20-19(14-5-3-2-4-6-14)33(7-8-35-20)12-18-30-21(34)32-31-18/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H2,30,31,32,34)/t13-,19+,20-/m0/s1

• Additionnal Information:

  IUPAC name: 5-(((2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one