Product Code

TRC-D231312

CAS Number

2271264-46-9

Product Format

Neat

Molecular Formula

C31H23D6BrN2O2

Molecular Weight

547.53

Product Categories

TRC, Stable isotopes

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

654654-76-9; 654654-75-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac-N-Desmethyl Bedaquiline-d6

CAS Number

2271264-46-9

Molecular Formula

C31H23D6BrN2O2

Molecular Weight

547.53

Accurate Mass

546.18

SMILES

C(C(C=1C(OC([2H])([2H])[2H])=NC2=C(C1)C=C(Br)C=C2)C3=CC=CC=C3)(CCNC([2H])([2H])[2H])(O)C=4C5=C(C=CC4)C=CC=C5

InChI

InChI=1S/C31H29BrN2O2/c1-33-18-17-31(35,27-14-8-12-21-9-6-7-13-25(21)27)29(22-10-4-3-5-11-22)26-20-23-19-24(32)15-16-28(23)34-30(26)36-2/h3-16,19-20,29,33,35H,17-18H2,1-2H3/i1D3,2D3

IUPAC

1-(6-bromo-2-(methoxy-d3)quinolin-3-yl)-4-((methyl-d3)amino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol

Unlabelled CAS Number

654654-76-9; 654654-75-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac-N-Desmethyl Bedaquiline-d6

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