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CHEBI:75918 - sodium (2-amino-3-benzoylphenyl)acetate

ChEBI IDCHEBI:75918
ChEBI Namesodium (2-amino-3-benzoylphenyl)acetate
Stars
DefinitionAn organic sodium salt having amfenac(1−) as the counterion.
Last Modified14 October 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H12NO3.Na
Net Charge0
Average Mass277.255
Monoisotopic Mass277.07149
SMILESNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.[Na+]
InChIInChI=1S/C15H13NO3.Na/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;/h1-8H,9,16H2,(H,17,18);/q;+1/p-1
InChIKeyMJAQSCHBMPGJES-UHFFFAOYSA-M
Roles Classification
Biological Roles:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
cyclooxygenase 1 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
ChEBI Ontology
Outgoing Relation(s)
sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918) has part amfenac(1−) (CHEBI:75917)
sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
amfenac sodium hydrate (CHEBI:31202) has part sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918)
IUPAC Name 
sodium (2-amino-3-benzoylphenyl)acetate
Registry NumbersSources
Reaxys:4283561Reaxys
CAS:61941-56-8ChemIDplus