Product Code

TRC-D955400

CAS Number

955404-04-3

Product Format

Neat

Molecular Formula

C30 H27 Br N2 O2

Molecular Weight

527.452

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N- Didesmethyl Bedaquiline

CAS Number

955404-04-3

Molecular Formula

C30 H27 Br N2 O2

Molecular Weight

527.452

Accurate Mass

526.126

SMILES

COc1nc2ccc(Br)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN)c4cccc5ccccc45

InChI

InChI=1S/C30H27BrN2O2/c1-35-29-25(19-22-18-23(31)14-15-27(22)33-29)28(21-9-3-2-4-10-21)30(34,16-17-32)26-13-7-11-20-8-5-6-12-24(20)26/h2-15,18-19,28,34H,16-17,32H2,1H3/t28-,30-/m1/s1

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N- Didesmethyl Bedaquiline

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