Name: Ethacrynic Acid Mercapturate (Mixture of diastereomers)
Brand: TRC
SKU: TRC-E676020-25MG

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Product Overview

Product Code

TRC-E676020-25MG

CAS Number

54546-23-5

Product Format

Neat

Molecular Formula

C18H21Cl2NO7S

Molecular Weight

466.33

Product Categories

TRC, Building blocks, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Metabolite, API

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Product Information

Chemical Data

Analyte Name

Ethacrynic Acid Mercapturate

CAS Number

54546-23-5

Molecular Formula

C18H21Cl2NO7S

Molecular Weight

466.33

Accurate Mass

465.04

SMILES

C(C(CSC[C@H](NC(C)=O)C(O)=O)CC)(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1

InChI

InChI=1S/C18H21Cl2NO7S/c1-3-10(7-29-8-12(18(26)27)21-9(2)22)17(25)11-4-5-13(16(20)15(11)19)28-6-14(23)24/h4-5,10,12H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)(H,26,27)/t10?,12-/m0/s1

IUPAC

N-acetyl-S-(2-(4-(carboxymethoxy)-2,3-dichlorobenzoyl)butyl)-L-cysteine

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Ethacrynic Acid Mercapturate (Mixture of diastereomers)

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