(S,S,S)-Aprepitant

For research use only. Not for therapeutic Use.

  • CAT Number: R033267
  • CAS Number: 1242175-40-1
  • Molecular Formula: C23H21F7N4O3
  • Molecular Weight: 534.435
  • Purity: ≥95%
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Catalog Number R033267
CAS Number 1242175-40-1
Synonyms

5-[[(2S,3S)-2-[(1S)-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
Purity ≥95%
Storage -20°C
IUPAC Name 5-[[(2S,3S)-2-[(1S)-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-/m0/s1
InChIKey ATALOFNDEOCMKK-OUWQEXSBSA-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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