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Product Overview

Product Code

TRC-T774262

Product Format

Neat

Molecular Formula

C18 D3 H11 Cl3 Na O8

Molecular Weight

490.666

API Family

Triclosan

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

Free Acid: 63156-12-7

Documentation

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Product Information

Chemical Data

Analyte Name

Triclosan (3',5',6'-d3) O-beta-D-Glucuronide Sodium Salt

Molecular Formula

C18 D3 H11 Cl3 Na O8

Molecular Weight

490.666

Accurate Mass

488.984

SMILES

[2H]c1c([2H])c(Oc2ccc(Cl)cc2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O[Na])c(Cl)c([2H])c1Cl

InChI

InChI=1S/C18H15Cl3O8.Na/c19-7-1-3-10(9(21)5-7)27-11-4-2-8(20)6-12(11)28-18-15(24)13(22)14(23)16(29-18)17(25)26;/h1-6,13-16,18,22-24H,(H,25,26);/q;+1/p-1/t13-,14-,15+,16-,18+;/m0./s1/i1D,3D,5D;

IUPAC

[(2S,3S,4S,5R,6S)-6-[5-chloro-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)phenoxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Unlabelled CAS Number

Free Acid: 63156-12-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Triclosan

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Triclosan (3',5',6'-d3) O-Beta-D-Glucuronide Sodium Salt

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