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Product Overview

Product Code

TRC-A158500

CAS Number

120595-80-4

Product Format

Neat

Molecular Formula

C14 H16 N O8 . Na

Molecular Weight

349.27

API Family

Acetaminophen

Product Categories

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

Product Type

Native/Parent, Impurity, Metabolite

Alternate CAS Number

Free acid: 16110-10-4

Purity

>95% (HPLC)

Drug Type

Analgesics (non-opiates)

Documentation

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Product Information

Chemical Data

Analyte Name

4-Acetamidophenyl beta-D-Glucuronide, Sodium Salt

CAS Number

120595-80-4

Molecular Formula

C14 H16 N O8 . Na

Molecular Weight

349.27

Accurate Mass

349.0774

Flash Point

SMILES

[Na+].CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])cc1

InChI

InChI=1S/C14H17NO8.Na/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21;/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate

Alternate CAS Number

Free acid: 16110-10-4

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Acetaminophen

Purity

>95% (HPLC)

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