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Product Overview

Product Code

TRC-B678102

CAS Number

1346599-93-6

Product Format

Neat

Molecular Formula

C13H9D6BrN4O2

Molecular Weight

345.22

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

56518-41-3

Unlabelled CAS Number

56518-41-3

Documentation

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Product Information

Chemical Data

Analyte Name

Brodimoprim-d6

CAS Number

1346599-93-6

Molecular Formula

C13H9D6BrN4O2

Molecular Weight

345.22

Accurate Mass

344.0755

SMILES

[2H]C([2H])([2H])Oc1cc(CC2=CNC(=N)NC2=N)cc(OC([2H])([2H])[2H])c1Br

InChI

InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)/i1D3,2D3

IUPAC

5-[[4-bromo-3,5-bis(trideuteriomethoxy)phenyl]methyl]-1H-pyrimidine-2,4-diimine

Alternate CAS Number

56518-41-3

Unlabelled CAS Number

56518-41-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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