CAS No. 845533-86-0

Molecular Formula: C36H33BrN2O5
Molecular Weight: 653.56162

EINECS:685-491-5
Molecular formula:C21H15N3O4

Description:
Bedaquiline fumarate is an anti-tuberculosis drug which selectively inhibits the mycobacterial energy metabolism and found to be effective against all states of Mycobacterium tuberculosis. It possesses a unique mechanism of action that disrupts the activity of the mycobacterial adenosine triphosphate synthase. It has an excellent in vitro activity against Mycobacterium tuberculosis, including multidrug resistant M tuberculosis, however, its side effect profile limits its use against MDR-TB when no other effective regimen can be provided.

• Molecular Weight: 671.58
• Molecular Formula: C36H35BrN2O6

Purity: >98%

Canonical SMILES:
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=CC(=O)O)C(=O)O

InChI:
InChI=1S/C32H31BrN2O2.C4H4O4/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;5-3(6)1-2-4(7)8/h4-17,20-21,30,36H,18-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t30-,32-;/m1./s1

InChIKey: ZLVSPMRFRHMMOY-WWCCMVHESA-N

• Application: Antitubercular Agents

Synonyms:
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol fumarate

More details are to be found on supplier website