CHEBI:31786 - loxoprofen sodium hydrate

ChEBI IDCHEBI:31786
ChEBI Nameloxoprofen sodium hydrate
Stars
DefinitionA hydrate that is the dihydrate form of loxoprofen sodium. The parent acid, loxoprofen, is a prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration.
Last Modified28 April 2020
DownloadsMolfile
FormulaC15H17O3.2H2O.Na
Net Charge0
Average Mass304.318
Monoisotopic Mass304.12867
SMILESCC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1.O.O.[Na+]
InChIInChI=1S/C15H18O3.Na.2H2O/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;;;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);;2*1H2/q;+1;;/p-1
InChIKeyBAZQYVYVKYOAGO-UHFFFAOYSA-M
Wikipedia
Roles Classification
Biological Roles:
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor  A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
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-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
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.
ChEBI Ontology
Outgoing Relation(s)
loxoprofen sodium hydrate (CHEBI:31786) has part loxoprofen sodium (CHEBI:76198)
loxoprofen sodium hydrate (CHEBI:31786) has role antipyretic (CHEBI:35493)
loxoprofen sodium hydrate (CHEBI:31786) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544)
loxoprofen sodium hydrate (CHEBI:31786) has role non-narcotic analgesic (CHEBI:35481)
loxoprofen sodium hydrate (CHEBI:31786) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
loxoprofen sodium hydrate (CHEBI:31786) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate—water (1/2)
Synonyms  Source
Loxoprofen sodium dihydrateChemIDplus
Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrateChemIDplus
alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrateChemIDplus
LoxoprofenChemIDplus
Manual XrefsDatabases
D01709KEGG DRUG
HMDB0041920HMDB
LoxoprofenWikipedia
Registry NumbersSources
Reaxys:5699005Reaxys
CAS:80382-23-6KEGG DRUG
CAS:80382-23-6ChemIDplus
Citations