(AlphaS,BetaR)-Bedaquiline

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For Research Use Only | Not For Clinical Use
CATAPS843663661
CAS843663-66-1
Structure
Synonyms(αS,βR)-Bedaquiline,3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βR)-, Sirturo, R 207910, Bedaquiline, TMC 207, (αS,βR)-6-Bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol
IUPAC Name(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Molecular Weight555.50
Molecular FormulaC32H31BrN2O2
Canonical SMILESCOc1nc2ccc(Br)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c4cccc5ccccc45
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/t30-,32-/m1/s1
Accurate Mass554.1569
FormatNeat
SubcategoryEnzyme inhibitors
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CATSizeShippingStorage Conditions
APS843663661-1MG 1MG Room Temperature -20°C Freezer Inquiry
APS843663661-5MG 5MG Room Temperature -20°C Freezer Inquiry
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