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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:loxoprofen sodium hydrate
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Accession:CHEBI:31786 term browser browse the term
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.
Synonyms:exact_synonym: sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate--water (1/2)
 related_synonym: Formula=C15H17O3.2H2O.Na;   Formula=C15H21NaO5;   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;   Loxoprofen;   Loxoprofen sodium dihydrate;   SMILES=O.O.[Na+].CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1;   Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrate;   alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrate
 xref: CAS:80382-23-6;   HMDB:HMDB0041920;   KEGG:D01709;   PMID:22687735;   PMID:22892443;   PMID:23216412;   PMID:23369024;   PMID:23400718;   PMID:23921417;   PMID:24061236;   PMID:24101391;   Reaxys:5699005;   Wikipedia:Loxoprofen

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Term Annotations click to browse term
  CHEBI ontology 19762
    role 19708
      application 19396
        anti-inflammatory agent 15821
          anti-inflammatory drug 13614
            non-steroidal anti-inflammatory drug 12704
              loxoprofen sodium hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic ion 8462
                              organic anion 3034
                                carboxylic acid anion 2394
                                  monocarboxylic acid anion 1500
                                    oxo monocarboxylic acid anion 0
                                      loxoprofen(1-) 0
                                        loxoprofen sodium 0
                                          loxoprofen sodium hydrate 0
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