CAS: 172673-23-3 - 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-[2α(R*),3α]]-

Formula: C₂₃H₂₁F₇N₄O₄

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

InChI key: InChIKey=CXAQOLFUIZCJSQ-FMSQANQXSA-N

SMILES: O=C1NN=C(N1)CN2(=O)CCOC(OC(C=3C=C(C=C(C3)C(F)(F)F)C(F)(F)F)C)C2C4=CC=C(F)C=C4

Synonyms:

• 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-[2α(R*),3α]]-
• 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, N-oxide, [2R-[2α(R*),3α]]-

Aprepitant Impurity 15

CAS: 172673-23-3

• Formula: C₂₃H₂₂F₆N₄O₄
• Molecular weight: 532.44

Aprepitant N-Oxide

CAS: 172673-23-3

• Formula: C₂₃H₂₁F₇N₄O₄
• Color and Shape: Neat
• Molecular weight: 550.426

Aprepitant-d4 N-Oxide

CAS: 172673-23-3

• Formula: C₂₃H₁₇D₄F₇N₄O₄
• Color and Shape: Neat
• Molecular weight: 554.45

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

CAS: 172673-23-3

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• Formula: C₂₃H₂₁F₇N₄O₄
• Purity: Min. 95%
• Molecular weight: 550.4 g/mol