ChemicalBook--->CAS DataBase List--->2348441-62-1

2348441-62-1

2348441-62-1 Structure

2348441-62-1 Structure
IdentificationBack Directory
[Name]

Aprepitant EP Impurity B
[CAS]

2348441-62-1
[Synonyms]

Arepitam Impurity B
Arepitam Impurity VIII
5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4'-fluoro-[1,1'-biphenyl]-3-yl)morpholino)methyl)-2,4-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-(4'-fluoro[1,1'-biphenyl]-3-yl)-4-morpholinyl]methyl]-1,2-dihydro-
[Molecular Formula]

C29H25F7N4O3
[MOL File]

2348441-62-1.mol
[Molecular Weight]

610.52
Chemical PropertiesBack Directory
[density ]

1.44±0.1 g/cm3(Predicted)
[pka]

8.05±0.20(Predicted)
[InChIKey]

QIEHKJXOBWMTEV-RENKICTCSA-N
[SMILES]

N1C(CN2CCO[C@H](O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)[C@@H]2C2C=CC=C(C3=CC=C(F)C=C3)C=2)=NC(=O)N1
Hazard InformationBack Directory
[Uses]

4-?Defluoro-?3-?(p-?fluorophenyl) Aprepitant is a triadimefon derivative used for inhibiting chlamdyia trachomatis growth.
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