CAS RN 845533-86-0

CAS RN 845533-86-0

IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol; but-2-enedioic acid

Synonyms: bedaquiline; butenedioic acid

Molecular Weight (g/mol): 671.59

Molecular Formula: C36H35BrN2O6

InChi Key: ZLVSPMRFRHMMOY-UHFFFAOYNA-N

SMILES: OC(=O)C=CC(O)=O.COC1=C(C=C2C=C(Br)C=CC2=N1)C(C1=CC=CC=C1)C(O)(CCN(C)C)C1=C2C=CC=CC2=CC=C1

Molecular Weight (g/mol)

1 – 2 of 2 results

1

Thermo Scientific Chemicals Bedaquiline fumarate

CAS: 845533-86-0 Molecular Formula: C36H35BrN2O6

Pricing and Availability
Specifications

CAS	845533-86-0
Molecular Formula	C36H35BrN2O6

2

Bedaquiline fumarate, MedChemExpress

MedChemExpress Bedaquiline fumarate, a diarylquinoline antibiotic that targets ATP synthase, is effective for the treatment of Mycobacterium tuberculosis infections.

ENCOMPASS_PREFERRED

Pricing and Availability
Specifications

Molecular Weight (g/mol)	671.58
Color	White
Physical Form	Solid
Chemical Name or Material	Bedaquiline fumarate
Grade	Research
SMILES	OC(/C=C/C(O)=O)=O.BrC1=CC=C(N=C(OC)C([C@H]([C@@](C2=CC=CC3=C2C=CC=C3)(O)CCN(C)C)C4=CC=CC=C4)=C5)C5=C1
For Use With (Application)	COVID-19-immunoregulation
Percent Purity	99.0%
CAS	845533-86-0
Solubility Information	DMSO : 100 mg/mL (148.90 mM; Need ultrasonic)
Health Hazard 1	H302∣H315∣H319∣H335
Synonym	R403323 TMC207 fumarate R207910 fumarate
Purity Grade Notes	Research
Recommended Storage	4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life	4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula	C₃₆H₃₅BrN₂O₆
Formula Weight	671.58