4′,5-Dihydroxydiclofenac
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4′,5-Dihydroxydiclofenac
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CAS No:
69002-86-4
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Formula:
C14H11Cl2NO4
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Chemical Name:
4′,5-Dihydroxydiclofenac
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Synonyms:
Benzeneacetic acid,2-[(2,6-dichloro-4-hydroxyphenyl)amino]-5-hydroxy-;2-[(2,6-Dichloro-4-hydroxyphenyl)amino]-5-hydroxybenzeneacetic acid;4′,5-Dihydroxydiclofenac
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CAS No:
Description
ChEBI: An monocarboxylic acid that is the 4',5-dihydroxylated metabolite of diclofenac.
4',5-dihydroxydiclofenac is a monocarboxylic acid that is the 4',5-dihydroxylated metabolite of diclofenac. It has a role as a drug metabolite and a drug allergen. It is a dichlorobenzene, a monocarboxylic acid, a secondary amino compound and a member of phenols. It derives from a diclofenac.
Drug Information
4',5-Dihydroxydiclofenac has known human metabolites that include (2S,3S,4S,5R)-6-[4-[2-(carboxymethyl)-4-hydroxyanilino]-3,5-dichlorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and 2-[2-(2,6-dichloro-4-sulfooxyanilino)-5-hydroxyphenyl]acetic acid.
Computed Properties
Molecular Weight:328.1
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:327.0065132
Monoisotopic Mass:327.0065132
Topological Polar Surface Area:89.8
Heavy Atom Count:21
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes