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Product Overview

Product Code

TRC-B116297

CAS Number

1246834-21-8

Product Format

Neat

Molecular Formula

C17 D3 H10 N3 Na2 O6

Molecular Weight

404.3

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled, API

Documentation

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Product Information

Chemical Data

Analyte Name

Balsalazide-d3 Disodium Salt

CAS Number

1246834-21-8

Molecular Formula

C17 D3 H10 N3 Na2 O6

Molecular Weight

404.3

Accurate Mass

404.079

SMILES

[2H]c1c([2H])c(\N=N\c2ccc(cc2)C(=O)NCCC(=O)O[Na])c([2H])c(C(=O)O[Na])c1O

InChI

InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;/i5D,6D,9D;;

IUPAC

[2,4,5-trideuterio-6-hydroxy-3-[(E)-[4-[(3-oxo-3-sodiooxypropyl)carbamoyl]phenyl]diazenyl]benzoyl]oxysodium

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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