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Bedaquiline (Mixture of DiastereoMers) structure, CAS 654655-80-8

Bedaquiline (Mixture of DiastereoMers)

CAS Number654655-80-8

SynonymsN-desmethyl bedaquiline; 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol; 1-(6-bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol

Molecular FormulaC32H31BrN2O2

Molecular Weight555.50

Purity98%%

Density

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Cat. No.: 2A-1174539 Purity: 98%%
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Quality Control of [ 654655-80-8 ] Purity: 98%% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number654655-80-8
Catalog No.2A-1174539
Chinese Name贝达奎林(非对映异构体混合物)
SynonymsN-desmethyl bedaquiline; 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol; 1-(6-bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol
Molecular FormulaC32H31BrN2O2
Molecular Weight555.50
Purity98%
Application(Rac)-Bedaquiline is the racemate of bedaquiline. Bedaquiline (TMC207) is a diarylquinoline agent that inhibits Mycobacterium tuberculosis (Mtb) F1FO-ATP synthase by targeting the c- and ε-subunits. B
PubChem ID15457509
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C32H31BrN2O2/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/h4-17,20-21,30,36H,18-19H2,1-3H3
InChI KeyQUIJNHUBAXPXFS-UHFFFAOYSA-N
Transport InfoProduct Name: Bedaquiline (diastereoisomer mixture)
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