Product Information
Name:Ethacrynic Acid Mercapturate (Mixture of diastereomers)
Synonyms:
- N-Acetyl-S-[2-[4-(carboxymethoxy)-2,3-dichlorobenzoyl]butyl]-L-cysteine
Brand:TRC
Description:
Stability Hygroscopic
Applications A metabolite of Ethacrynic Acid (E676000) that is an inhibitor of sodium-potassium-dichloride cotransport and bumetanide binding. Also an inhibitor of human hepatic glutathione S-transferase isozymes.
References Palfrey, H. et al.: Am. J. Physiol., 264, C1270 (1993); Klaassen, C.D. et al.: J. Pharmacol. Exp. Therap., 191, 548(1974); Takamatsu, Y. et al.: Toxicol. Lett., 62, 241 (1992);
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Chemical properties
Molecular weight:466.33
Formula:C18H21Cl2NO7S
Color/Form:Neat
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
InChI key:InChIKey=FFUBZDLDJQLBLZ-TVKKRMFBSA-N
SMILES:CCC(CSC[C@@H](NC(C)=O)C(=O)O)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
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