Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24779
    role 24695
      application 23844
        anti-inflammatory agent 16817
          anti-inflammatory drug 14531
            non-steroidal anti-inflammatory drug 13551
              tolmetin sodium dihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24779
    subatomic particle 24738
      composite particle 24738
        hadron 24738
          baryon 24738
            nucleon 24738
              atomic nucleus 24738
                atom 24738
                  main group element atom 24603
                    p-block element atom 24603
                      carbon group element atom 24396
                        carbon atom 24360
                          organic molecular entity 24360
                            organic ion 8790
                              organic anion 3177
                                carboxylic acid anion 2470
                                  monocarboxylic acid anion 1568
                                    tolmetin(1-) 0
                                      tolmetin sodium 0
                                        tolmetin sodium dihydrate 0
paths to the root