CHEBI:31786 - loxoprofen sodium hydrate

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ChEBI Name loxoprofen sodium hydrate
ChEBI ID CHEBI:31786
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C15H17O3.2H2O.Na
C15H21NaO5
Net Charge 0
Average Mass 304.31400
Monoisotopic Mass 304.12867
InChI InChI=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
InChIKey BAZQYVYVKYOAGO-UHFFFAOYSA-M
SMILES O.O.[Na+].CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1
Roles Classification
Biological Role(s): 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.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrate ChemIDplus
Loxoprofen ChemIDplus
Loxoprofen sodium dihydrate ChemIDplus
Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrate ChemIDplus
Manual Xrefs Databases
D01709 KEGG DRUG
HMDB0041920 HMDB
Loxoprofen Wikipedia
View more database links
Registry Numbers Types Sources
5699005 Reaxys Registry Number Reaxys
80382-23-6 CAS Registry Number ChemIDplus
80382-23-6 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
22687735 PubMed citation Europe PMC
22892443 PubMed citation Europe PMC
23216412 PubMed citation Europe PMC
23369024 PubMed citation Europe PMC
23400718 PubMed citation Europe PMC
23921417 PubMed citation Europe PMC
24061236 PubMed citation Europe PMC
24101391 PubMed citation Europe PMC
Last Modified
28 April 2020