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172822-28-5

172822-28-5 Structure

172822-28-5 Structure
IdentificationBack Directory
[Name]

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

172822-28-5
[Synonyms]

SM001F
(2S,3S,1’R)-Aprepitant
Aretetan Impurity-(RSS)
Aprepitant (R,S,S)-Isomer
Aprepitant Impurity - (RSS)
(R,S,S)-Enantiomer Aprepitant
Aprepitant Impurity 6(R,S,S-Isomer)
Aprepitant Intermediate Impurity -(RSS)
Aprepitant impurity 7/(1R,2S,3S)-Aprepitant
5-([(2S,3S)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluoro phenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one
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-, [2S-[2α(S*),3β]]- (9CI)
[Molecular Formula]

C23H21F7N4O3
[MOL File]

172822-28-5.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,3S,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. (2S,3S,1’R)-Aprepitant is also a useful synthetic intermediate in the synthesis of morpholine tachykinin receptor antagonist prodrugs.
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