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Product Overview

Product Code

TRC-D486910

CAS Number

137908-78-2

Product Format

Neat

Molecular Formula

C23 H29 N O7

Molecular Weight

431.48

API Family

Diphenhydramine, Diphenhydramine Citrate

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Bioactive small molecule, Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

Diphenhydramine N-beta-D-Glucuronide

CAS Number

137908-78-2

Molecular Formula

C23 H29 N O7

Molecular Weight

431.48

Accurate Mass

431.1944

SMILES

C[N+](C)(CCOC(c1ccccc1)c2ccccc2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]

InChI

InChI=1S/C23H29NO7/c1-24(2,22-19(27)17(25)18(26)21(31-22)23(28)29)13-14-30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-22,25-27H,13-14H2,1-2H3/t17-,18-,19+,21-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Diphenhydramine; Diphenhydramine Citrate

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