(AlphaS,BetaR)-Bedaquiline
Product Specifications
CAS Number
843663-66-1
Synonyms
3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βR)-; (αS,βR)-6-Bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol; Bedaquiline; R 207910; Sirturo; TMC 207; (αS,βR)-Bedaquiline
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1nc2ccc(Br)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c4cccc5ccccc45
Molecular Formula
C32 H31 Br N2 O2
Molecular Weight
555.5
InChI
InChI=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
Additionnal Information
IUPAC name: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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