API reference
Bedaquiline
- CAS number
- 843663-66-1
- Molecular formula
- C32H31BrN2O2
- Molecular weight
- 555.5 g/mol
About this molecule
Bedaquiline is a quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria. It has a role as an ATP synthase inhibitor and an antitubercular agent. It is a member of naphthalenes, a member of quinolines, a tertiary alcohol, an aromatic ether, an organobromine compound and a tertiary amino compound. It is a conjugate base of a bedaquiline(2+).
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
- InChIKey
- QUIJNHUBAXPXFS-XLJNKUFUSA-N
- SMILES
- CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
- Other CAS numbers recorded
- 654653-93-7
- PubChem CID
- 5388906
Also known as
Bedaquiline · TMC207 · TMC-207 · bedaquilina · TMC 207 · bedaquilinum · J04AK05 · (alphaR,betaS)-rel-Bedaquiline
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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