| Identification | Back Directory | [Name]
(R,R,R)-Aprepitant | [CAS]
1148113-53-4 | [Synonyms]
Aprepitant A
(R,R,R)-Aprepitant
(1R,2R,3R)-Aprepitant
Aprepitant EP Impurity E
Aprepitant trans-1-enantiomer
Aprepitant Related CoMpound A
Aprepitant USP RC A (R,R,R-Diasteromer)
Aprepitant impurity 5/Aprepitant EP Impurity E
Aripitant related substance A reference substance
3-(((2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one
5-(((2R,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
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
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]-1,2-dihydro-
Aprepitant Related Compound A (10 mg) (3-[[(2R,3R)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one) | [Molecular Formula]
C23H21F7N4O3 | [MDL Number]
MFCD23704633 | [MOL File]
1148113-53-4.mol | [Molecular Weight]
534.43 |
| Chemical Properties | Back Directory | [density ]
1.51±0.1 g/cm3(Predicted) | [pka]
8.06±0.20(Predicted) | [Major Application]
pharmaceutical (small molecule) | [InChIKey]
ATALOFNDEOCMKK-TVNIXMEMSA-N | [SMILES]
N1C(CN2CCO[C@H](O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)[C@H]2C2=CC=C(F)C=C2)=NC(=O)N1 |
| Hazard Information | Back Directory | [Uses]
The (R,R,R)-enantiomer of Aprepitant (A729800,1148113-53-4), the key intermediate of Aprepitant in bulk drug and formulation samples of Aprepitant.
| [Application]
(R,R,R)-Aprepitant (Aprepitant Related Compound A,1148113-53-4) is a USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia.
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