Aprepitant N-Oxide

• Synonyms:

  [2R-[2α(R*),3α]]-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

• Hazard Statement:

  Not a hazardous substance according to GHS.

• Purity:

  >95% (HPLC)

• Smiles:

  C[C@@H](O[C@H]1OCC[N+]([O-])(CC2=NNC(=O)N2)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

• Molecular Formula:

  C23 H21 F7 N4 O4

• Molecular Weight:

  550.426

• 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

• Additionnal Information:

  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-1,2,4-triazol-5-one

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  172673-23-3