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Product Overview

Product Code

TRC-H952750

CAS Number

154717-05-2

Product Format

Neat

Molecular Formula

C22 H18 O7

Molecular Weight

394.37

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

1-Hydroxypyrene beta-D-Glucuronide

CAS Number

154717-05-2

Molecular Formula

C22 H18 O7

Molecular Weight

394.37

Accurate Mass

394.1053

SMILES

O[C@H]1[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

Product Description

A metabolite of 1-Hydroxypyrene, which is found in human urine after exposure to coal tar and a coal derived product.

References: Jongeneelen, F.J., et al.: Int. Arch. Occup. Environ. Health, 57, 47 (1985)

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