AceMetacin-acyl-β-D-glucuronide
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AceMetacin-acyl-β-D-glucuronide
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CAS No:
1260603-31-3
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Formula:
C27H26ClNO12
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Chemical Name:
AceMetacin-acyl-β-D-glucuronide
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Synonyms:
Acemetacin-acyl-beta-D-glucuronide min. 98%;Acemetacin-acyl-b-D-glucuronide;AceMetacin-acyl-β-D-glucuronide;Acemetacin-acyl-β-D-glucuronide
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CAS No:
AceMetacin-acyl-β-D-glucuronide Use and Manufacturing
Acemetacin-acyl-β-D-glucuronide is the metabolite of Acemetacin (A130700), an anti-inflammatory agent. Acyl glucuronides have been linked with the toxic properties of drugs that contain carboxylic aci d moieties. Multiple experiments have explored the potential biologic and toxicologic effects of acyl glucuronide metabolites of various drugs.
Computed Properties
Molecular Weight:591.9
XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:591.1143530
Monoisotopic Mass:591.1143530
Topological Polar Surface Area:191
Heavy Atom Count:41
Complexity:974
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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