(AlphaR,BetaS)-Bedaquiline
Product Code
TRC-B119535
CAS Number
Product Format
Neat
Molecular Formula
C32H31BrN2O2
Molecular Weight
555.5
Product Categories
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- Product Name: (AlphaR,BetaS)-Bedaquiline
- Product Code: TRC-B119535
- CAS Number: 857086-93-2
- Brand: TRC
Product Information
Chemical Data
Analyte Name
(alphaR,betaS)-Bedaquiline
CAS Number
857086-93-2
Molecular Formula
C32H31BrN2O2
Molecular Weight
555.5
Accurate Mass
554.1569
SMILES
COc1nc2ccc(Br)cc2cc1[C@H](c3ccccc3)[C@](O)(CCN(C)C)c4cccc5ccccc45
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-/m0/s1
IUPAC
(1S,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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