CHEBI:31202 - amfenac sodium hydrate

ChEBI IDCHEBI:31202
ChEBI Nameamfenac sodium hydrate
Stars
DefinitionA hydrate that is the monohydrate of the sodium salt of amfenac.
Last Modified14 October 2013
DownloadsMolfile
FormulaC15H12NO3.H2O.Na
Net Charge0
Average Mass295.270
Monoisotopic Mass295.08205
SMILESNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.O.[Na+]
InChIInChI=1S/C15H13NO3.Na.H2O/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);;1H2/q;+1;/p-1
InChIKeyQZNJPJDUBTYMRS-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.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
antipyretic  A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
ChEBI Ontology
Outgoing Relation(s)
amfenac sodium hydrate (CHEBI:31202) has part sodium (2-amino-3-benzoylphenyl)acetate (CHEBI:75918)
amfenac sodium hydrate (CHEBI:31202) has role antipyretic (CHEBI:35493)
amfenac sodium hydrate (CHEBI:31202) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
amfenac sodium hydrate (CHEBI:31202) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
amfenac sodium hydrate (CHEBI:31202) has role non-narcotic analgesic (CHEBI:35481)
amfenac sodium hydrate (CHEBI:31202) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
amfenac sodium hydrate (CHEBI:31202) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium (2-amino-3-benzoylphenyl)acetate—water (1/1)
Synonyms  Source
amfenac sodiumChemIDplus
sodium (2-amino-3-benzoylphenyl)acetate monohydrateChemIDplus
AHR-5850DChemIDplus
2-amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrateChemIDplus
Manual XrefsDatabases
D01788KEGG DRUG
Registry NumbersSources
Reaxys:13313120Reaxys
CAS:61618-27-7ChemIDplus
CAS:61618-27-7KEGG DRUG
Citations