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(AlphaR,BetaS)-rel-Bedaquiline-d6

Product Code

TRC-B119557

CAS Number

2271264-27-6

Product Format

Neat

Molecular Formula

C32H25D6BrN2O2

Molecular Weight

561.54

Product Categories

Tuberculostatics, Enzyme agonists & antagonists, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

654653-93-7

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

(aR,bS)-rel-Bedaquiline-d6

CAS Number

2271264-27-6

Molecular Formula

C32H25D6BrN2O2

Molecular Weight

561.54

Accurate Mass

560.19

SMILES

BrC1=CC=C2C(C=C([C@@H](C3=CC=CC=C3)[C@@](O)(CCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C4=C(C=CC=C5)C5=CC=C4)C(OC)=N2)=C1

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/i1D3,2D3

IUPAC

(1R,2S)-4-(bis(methyl-d3)amino)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol

Unlabelled CAS Number

654653-93-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat
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