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Product Overview

Product Code

TRC-D448650

CAS Number

99102-04-2

Product Format

Neat

Molecular Formula

C13 H20 Cl N O

Molecular Weight

241.76

API Family

Bupropion Hydrobromide

Product Categories

TRC, Chiral Molecules , Pharmaceutical Reference Standards, Halogenated heterocycles, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Alternate CAS Number

(1R,2S) absolute isomer: 292055-72-2

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

rac erythro-Dihydrobupropion

CAS Number

99102-04-2

Molecular Formula

C13 H20 Cl N O

Molecular Weight

241.76

Accurate Mass

241.1233

SMILES

C[C@H](NC(C)(C)C)[C@H](O)c1cccc(Cl)c1

InChI

InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12-/m0/s1

IUPAC

(1R,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

Alternate CAS Number

(1R,2S) absolute isomer: 292055-72-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Bupropion Hydrobromide

Purity

>95% (HPLC)

Product Description

A metabolite of the drug Bupropion (B689625)

References: Hsyu, P-H., et al.: J. Clin. Pharmacol., 37, 737 (1997)

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