ChemicalBook--->CAS DataBase List--->1185502-97-9

1185502-97-9

1185502-97-9 Structure

1185502-97-9 Structure
IdentificationBack Directory
[Name]

(1R,2S,3R)-Aprepitant
[CAS]

1185502-97-9
[Synonyms]

(R,S,R)-Aprepitant
1R, 2S, 3R)-Aripitan
(2S,3R,1’R)-Aprepitant
Aprepitant (R,S,R)-Isomer
Aprepitant impurity 6/(1R,2S,3R)-Aprepitant
5-([(2S,3R)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluoro phenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one
5-(((2S,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-
[Molecular Formula]

C23H21F7N4O3
[MDL Number]

MFCD24386574
[MOL File]

1185502-97-9.mol
[Molecular Weight]

534.43
Chemical PropertiesBack Directory
[density ]

1.51±0.1 g/cm3(Predicted)
[pka]

8.06±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

(2S,3R,1’R)-Aprepitant is an impurity of Aprepitant (A729800); a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.
[Definition]

ChEBI: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one is a member of morpholines.
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