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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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Term Annotations click to browse term
  CHEBI ontology 19773
    role 19719
      application 19403
        anti-inflammatory agent 15766
          anti-inflammatory drug 13625
            non-steroidal anti-inflammatory drug 12715
              loxoprofen sodium hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic ion 8466
                              organic anion 3037
                                carboxylic acid anion 2398
                                  monocarboxylic acid anion 1499
                                    oxo monocarboxylic acid anion 0
                                      loxoprofen(1-) 0
                                        loxoprofen sodium 0
                                          loxoprofen sodium hydrate 0
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