Ethacrynic Acid Mercapturate
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Ethacrynic Acid Mercapturate
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CAS No:
54546-23-5
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Formula:
C18H21Cl2NO7S
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Chemical Name:
Ethacrynic Acid Mercapturate
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Synonyms:
DTXSID10747717;N-Acetyl-S-{2-[4-(carboxymethoxy)-2,3-dichlorobenzoyl]butyl}-D-cysteine
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CAS No:
Ethacrynic Acid Mercapturate Use and Manufacturing
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.
Computed Properties
Molecular Weight:466.3
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:465.0415786
Monoisotopic Mass:465.0415786
Topological Polar Surface Area:155
Heavy Atom Count:29
Complexity:607
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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