ChemicalBook--->CAS DataBase List--->654655-80-8

654655-80-8

654655-80-8 Structure

654655-80-8 Structure
IdentificationBack Directory
[Name]

Bedaquiline (Mixture of DiastereoMers)
[CAS]

654655-80-8
[Synonyms]

rac-Bedaquiline-d6
Bedaquiline (Mixture of DiastereoMers)
3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-
[Molecular Formula]

C32H31BrN2O2
[MDL Number]

MFCD22628872
[MOL File]

654655-80-8.mol
[Molecular Weight]

555.5
Chemical PropertiesBack Directory
[Melting point ]

>164°C (dec.)
[Boiling point ]

702.7±60.0 °C(Predicted)
[density ]

1.322±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

Acetonitrile (Slightly, Heated) Chloroform (Slightly, Heated), DMSO (Slightly)
[form ]

Solid
[pka]

13.05±0.29(Predicted)
[color ]

Off-White to Pale Yellow
[InChIKey]

QUIJNHUBAXPXFS-UHFFFAOYSA-N
[SMILES]

c1cc2nc(OC)c(C(c3ccccc3)C(CCN(C)C)(O)c3cccc4ccccc34)cc2cc1Br
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Soild
[Uses]

Bedaquiline is a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis.
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