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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:tolmetin sodium dihydrate
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Accession:CHEBI:72014 term browser browse the term
Definition:An organic sodium salt that is the dihydrate form of tolmetin sodium. Used as a nonselective nonsteroidal anti-inflammatory drug.
Synonyms:exact_synonym: sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate--water (1/2)
 related_synonym: Formula=C15H18NNaO5;   InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1;   InChIKey=QQILXENAYPUNEA-UHFFFAOYSA-M;   SMILES=O.O.[Na+].Cc1ccc(cc1)C(=O)c1ccc(CC([O-])=O)n1C;   Sodium 1-methyl-5-p-toluoylpyrrole-2-acetate dihydrate;   Tolectin;   Tolmetin sodium;   Tolumetin sodium dihydrate
 xref: CAS:64490-92-2;   DrugBank:DB00500;   KEGG:D00158;   PMID:1370766;   PMID:14999740;   PMID:16414623;   PMID:16414675;   PMID:19505209;   PMID:20582193;   PMID:2094421;   PMID:21601625;   PMID:2836323;   PMID:300118;   PMID:3881125;   PMID:405018;   PMID:470891;   PMID:535831;   PMID:61224;   PMID:621259;   PMID:6350376;   PMID:6686452;   PMID:7002482;   PMID:7248666;   PMID:7359312;   PMID:7428434;   PMID:8277771;   Patent:US4255335;   Reaxys:13339052;   Wikipedia:Tolmetin_sodium


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      application 25172
        anti-inflammatory agent 17787
          anti-inflammatory drug 15742
            non-steroidal anti-inflammatory drug 15003
              tolmetin sodium dihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic ion 10222
                              organic anion 3764
                                carboxylic acid anion 2557
                                  monocarboxylic acid anion 1660
                                    tolmetin(1-) 0
                                      tolmetin sodium 0
                                        tolmetin sodium dihydrate 0
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