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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 21746
    role 21724
      application 21226
        anti-inflammatory agent 16569
          anti-inflammatory drug 14014
            non-steroidal anti-inflammatory drug 12986
              tolmetin sodium dihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21746
    subatomic particle 21732
      composite particle 21732
        hadron 21732
          baryon 21732
            nucleon 21732
              atomic nucleus 21732
                atom 21732
                  main group element atom 21647
                    p-block element atom 21647
                      carbon group element atom 21454
                        carbon atom 21353
                          organic molecular entity 21353
                            organic ion 8633
                              organic anion 3093
                                carboxylic acid anion 2437
                                  monocarboxylic acid anion 1514
                                    tolmetin(1-) 0
                                      tolmetin sodium 0
                                        tolmetin sodium dihydrate 0
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