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Product Overview

Product Code

TRC-I821277

Product Format

Neat

Molecular Formula

C28 D5 H21 N7 . Cl H . Cl

Molecular Weight

537.498

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

6798-24-9

Documentation

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Product Information

Chemical Data

Analyte Name

Isometamidium-d5 (ethyl-d5) Chloride Hydrochloride

Molecular Formula

C28 D5 H21 N7 . Cl H . Cl

Molecular Weight

537.498

Accurate Mass

536.202

SMILES

Cl.[Cl-].[2H]C([2H])([2H])C([2H])([2H])[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(N)cc14)N=NNc5cccc(c5)C(=N)N

InChI

InChI=1S/C28H25N7.2ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H/i1D3,2D2;;

IUPAC

3-[2-[3-amino-5-(1,1,2,2,2-pentadeuterioethyl)-6-phenylphenanthridin-5-ium-8-yl]iminohydrazinyl]benzenecarboximidamide;chloride;hydrochloride

Unlabelled CAS Number

6798-24-9

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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