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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 19781
    role 19726
      application 19412
        anti-inflammatory agent 15759
          anti-inflammatory drug 13624
            non-steroidal anti-inflammatory drug 12714
              tolmetin sodium dihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic ion 8462
                              organic anion 3034
                                carboxylic acid anion 2394
                                  monocarboxylic acid anion 1499
                                    tolmetin(1-) 0
                                      tolmetin sodium 0
                                        tolmetin sodium dihydrate 0
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