Name: 1-Hydroxypyrene-d9 Beta-D-Glucuronide
Brand: TRC
SKU: TRC-H952752

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Product Overview

Product Code

TRC-H952752

CAS Number

2079923-77-4

Product Format

Neat

Molecular Formula

C22H9D9O7

Molecular Weight

403.43

Product Categories

TRC, Metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

154717-05-2

Documentation

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Product Information

Chemical Data

Analyte Name

1-Hydroxypyrene-d9 b-D-Glucuronide

CAS Number

2079923-77-4

Molecular Formula

C22H9D9O7

Molecular Weight

403.43

Accurate Mass

403.16

SMILES

O[C@H]([C@@H](C(O)=O)O[C@@H](OC1=C([2H])C([2H])=C(C2=C1C([2H])=C3[2H])C([2H])=C([2H])C4=C2C3=C([2H])C([2H])=C4[2H])[C@@H]5O)[C@@H]5O

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/i1D,2D,3D,4D,5D,6D,7D,8D,9D

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((pyren-1-yl-d9)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Unlabelled CAS Number

154717-05-2

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Product Description

A labelled 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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