(AlphaS,BetaR)-Bedaquiline
Product Code
TRC-B119540
CAS Number
Product Format
Neat
Molecular Formula
C32 H31 Br N2 O2
Molecular Weight
555.50
API Family
BedaquilineProduct Categories
Enzyme inhibitors, TRC, API Reference Standards & Research Materials, Tuberculostatics, Infectious Disease Research Chemicals and Analytical Standards
Product Type
APIPurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Bedaquiline
CAS Number
843663-66-1
Molecular Formula
C32 H31 Br N2 O2
Molecular Weight
555.50
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-/m1/s1
IUPAC
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
Purity
>95% (HPLC)
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