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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/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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        anti-inflammatory agent 0
          anti-inflammatory drug 0
            non-steroidal anti-inflammatory drug 0
              loxoprofen sodium hydrate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    oxo monocarboxylic acid anion 0
                                      loxoprofen(1-) 0
                                        loxoprofen sodium 0
                                          loxoprofen sodium hydrate 0
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