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Product Overview

Product Code

TRC-D453908

CAS Number

113559-13-0

Product Format

Neat

Molecular Formula

C21H27N3O3S • 2HCl

Molecular Weight

401.5223646

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Bioactive small molecules, Ion channel modulators, Other ion channels, Neurotransmission, Epilepsy, Multiple Sclerosis, Stroke, Pain and Inflammation

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free base: 113558-89-7

Documentation

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Product Information

Chemical Data

Analyte Name

E-4031 Dihydrochloride

CAS Number

113559-13-0

Molecular Formula

C21H27N3O3S • 2HCl

Molecular Weight

401.5223646

SMILES

O=C(C1=CC=C(NS(=O)(C)=O)C=C1)C(CC2)CCN2CCC3=NC(C)=CC=C3.Cl

InChI

InChI=1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H

Alternate CAS Number

Free base: 113558-89-7

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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