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Product Overview

Product Code

TRC-H714588

Product Format

Neat

Molecular Formula

C19 H28 Cl N O7

Molecular Weight

417.881

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

(R,S)-Hydrobupropion Glucuronide

Molecular Formula

C19 H28 Cl N O7

Molecular Weight

417.881

Accurate Mass

417.155

SMILES

C[C@H](NC(C)(C)C)[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2cccc(Cl)c2

InChI

InChI=1S/C19H28ClNO7/c1-9(21-19(2,3)4)15(10-6-5-7-11(20)8-10)27-18-14(24)12(22)13(23)16(28-18)17(25)26/h5-9,12-16,18,21-24H,1-4H3,(H,25,26)/t9-,12-,13-,14+,15-,16-,18+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(1R,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Format

Neat

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