ChemicalBook--->CAS DataBase List--->170729-76-7

170729-76-7

170729-76-7 Structure

170729-76-7 Structure
IdentificationBack Directory
[Name]

Defluoro Aprepitant
[CAS]

170729-76-7
[Synonyms]

SM001C
Deflurepitan
Desfluaripitan
Enantiomers of SRS
Defluoro Aprepitant
Aprepitant USP RC A
Aprepitant desfluoro
Aprepitant Impurity 8
Aprepitant EP Impurity A
Aprepitant EP Impurity A(Desfluoro Aprepitant)
Aprepitant EP Impurity A (Defluoro Aprepitant)
Aprepitant Impurity 8(Aprepitant EP Impurity A)
Aprepitant impurity 1/Aprepitant EP Impurity A /Defluoro Aprepitant
5-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-phenyl-4-Morpholinyl]Methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-
[Molecular Formula]

C23H22F6N4O3
[MDL Number]

MFCD24386573
[MOL File]

170729-76-7.mol
[Molecular Weight]

516.44
Chemical PropertiesBack Directory
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

8.09±0.20(Predicted)
[Appearance]

White to off-white Solid
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

YOBMIXIISZAQGF-CAYVGHNUSA-N
[SMILES]

FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@H](O[C@H]2OCCN([C@H]2c4ccccc4)Cc3[nH]nc(n3)O)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2934990002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

NK-1 receptor antagonists for treating severe anxiety disorders. Antidepressant
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