Name: (AlphaR,BetaS)-rel-Bedaquiline
Brand: TRC
SKU: TRC-B119555-10MG

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Product Overview

Product Code

TRC-B119555-10MG

CAS Number

654653-93-7

Product Format

Neat

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.5

API Family

Bedaquiline Fumarate

Product Categories

Enzyme inhibitors, TRC, Tuberculostatics, API Reference Standards & Research Materials

Product Type

API

Drug Type

Additional Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

(alphaR,betaS)-rel-Bedaquiline

CAS Number

654653-93-7

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.5

Accurate Mass

554.16

SMILES

BrC1=CC=C2C(C=C([C@@H](C3=CC=CC=C3)[C@@](O)(CCN(C)C)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

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

Bedaquiline Fumarate

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