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CHEBI:31786 - loxoprofen sodium hydrate

Default Structure
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-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)
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
alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrateChemIDplus
LoxoprofenChemIDplus
Loxoprofen sodium dihydrateChemIDplus
Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrateChemIDplus
Manual XrefsDatabases
D01709KEGG DRUG
HMDB0041920HMDB
LoxoprofenWikipedia
Registry NumbersSources
Reaxys:5699005Reaxys
CAS:80382-23-6ChemIDplus
CAS:80382-23-6KEGG DRUG
Citations