Product Code

TRC-D824062

Product Format

Neat

Molecular Formula

13C C30 D3 H26 Br N2 O2

Molecular Weight

545.489

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Desmethyl Bedaquiline-13C,D3

Molecular Formula

13C C30 D3 H26 Br N2 O2

Molecular Weight

545.489

Accurate Mass

544.163

SMILES

[2H][13C]([2H])([2H])NCC[C@](O)([C@H](c1ccccc1)c2cc3cc(Br)ccc3nc2OC)c4cccc5ccccc45

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/t29-,31-/m1/s1/i1+1D3

IUPAC

(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenyl-4-(trideuterio(113C)methylamino)butan-2-ol

SIL Type

Deuterium, Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Desmethyl Bedaquiline-13C,D3

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