5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one

Modify Date: 2024-01-10 21:35:22

5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one structure	Common Name	5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one
	CAS Number	1217676-37-3	Molecular Weight	538.424
	Density	1.5±0.1 g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₁₁₃C₂H₁₉D₂F₇N₄O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one
Synonym	More Synonyms

Density	1.5±0.1 g/cm3
Molecular Formula	C₂₁₁₃C₂H₁₉D₂F₇N₄O₃
Molecular Weight	538.424
Exact Mass	538.169434
Index of Refraction	1.564
InChIKey	ATALOFNDEOCMKK-IPWSJXMKSA-N
SMILES	CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one

3H-1,2,4-Triazol-3-one-5-13C, 5-[[(2R,3S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl-1,2-d2]oxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl-13C]-2,4-dihydro-

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5-{[(2R,3S)-2-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl](1,2-2H2)ethyl]oxy}-3-(4-fluorophenyl)-4-morpholinyl](13C)methyl}(5-13C)-2,4-dihydro-3H-1,2,4-triazol-3-one

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Chemical & Physical Properties

Synonyms

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