(Rac-Bedaquiline)

CAS Number: 654655-80-8

Molecular Formula: C32H31BrN2O2

About (Rac-Bedaquiline)

Bedaquiline (CAS 843663-66-1) serves as a cornerstone diarylquinoline in the treatment of multidrug-resistant tuberculosis, driving significant demand for high purity fine chemicals as US-based CDMOs expand their portfolios to include specialized anti-infective therapeutics. Sirturo, a key pharmaceutical asset, has see...

(Rac-Bedaquiline) Specifications

CAS Number

654655-80-8

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.50 g/mol

IUPAC Name

1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol

Canonical SMILES

CN(C)CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC

InChI Key

QUIJNHUBAXPXFS-UHFFFAOYSA-N

CAS Number

654655-80-8

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.50 g/mol

IUPAC Name

1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol

Canonical SMILES

CN(C)CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC

InChI Key

QUIJNHUBAXPXFS-UHFFFAOYSA-N

Molecular Weight

555.50 g/mol

Antitubercular Agent

A diarylquinoline antibiotic specifically developed to inhibit mycobacterial ATP synthase for the treatment of pulmonary multidrug-resistant tuberculosis (MDR-TB) and extensively drug-resistant tuberculosis (XDR-TB)

Pharmaceutical Intermediate

A critical chemical building block and reference standard used in the synthesis, quality control, and quantitative analysis of bedaquiline-based medicinal products

Isotope-Labeled Tracer

A deuterium-labeled internal standard utilized in clinical mass spectrometry (LC-MS/MS), NMR spectroscopy, and pharmacokinetic research for accurate therapeutic drug monitoring and metabolic studies

Scientific Research Reagent

A specialized antimycobacterial tool employed in in vitro and in vivo studies to investigate F1FO-ATP synthase inhibition and to develop novel combination regimens for drug-resistant Mycobacterium tuberculosis.