CAS 1148113-53-4|(1R,2R,3R)-Aprepitant

Introduction：Basic information about CAS 1148113-53-4|(1R,2R,3R)-Aprepitant, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Synonyms

Common Name	(1R,2R,3R)-Aprepitant
CAS Number	1148113-53-4	Molecular Weight	534.427
Density	1.5±0.1 g/cm3	Boiling Point	/
Molecular Formula	C₂₃H₂₁F₇N₄O₃	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	(R,R,R)-Aprepitant
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Molecular Formula	C₂₃H₂₁F₇N₄O₃
Molecular Weight	534.427
Exact Mass	534.150208
PSA	83.50000
LogP	4.23
Index of Refraction	1.564
InChIKey	ATALOFNDEOCMKK-TVNIXMEMSA-N
SMILES	CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Safety Information

RIDADR	NONH for all modes of transport

Synonyms

5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one

5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

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

Aprepitant Impurity 3

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