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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:proglumetacin
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Accession:CHEBI:76263 term browser browse the term
Definition:A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining.
Synonyms:exact_synonym: 3-[4-(2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}ethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate
 related_synonym: Formula=C46H58ClN5O8;   InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);   InChIKey=PTXGHCGBYMQQIG-UHFFFAOYSA-N;   SMILES=CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1;   proglumetacina;   proglumetacine;   proglumetacinum
 xref: CAS:57132-53-3;   Drug_Central:2280;   KEGG:D08427;   PMID:1626095;   PMID:1778279;   PMID:2491526;   PMID:2653004;   PMID:2974384;   PMID:3663267;   PMID:3860726;   PMID:3887221;   PMID:3905222;   PMID:4074450;   PMID:6222270;   PMID:6222271;   PMID:6343924;   PMID:6381269;   PMID:6602308;   PMID:6602309;   PMID:6602310;   PMID:6728264;   PMID:6728268;   PMID:6856162;   PMID:6856163;   PMID:6856164;   PMID:6856165;   PMID:6856166;   PMID:6856167;   Patent:US6599529;   Reaxys:876871;   Wikipedia:Proglumetacin


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        xenobiotic 18398
          indometacin 3177
            proglumetacin 0
              proglumetacin dimaleate 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 group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      carboxylic acid 18202
                                        carboacyl group 17418
                                          univalent carboacyl group 17418
                                            carbamoyl group 17216
                                              carboxamide 17216
                                                monocarboxylic acid amide 14629
                                                  arenecarboxamide 6594
                                                    benzamides 6594
                                                      N(2)-benzoyl-N,N-dipropyl-alpha-glutamine 0
                                                        (R)-proglumide 0
                                                          proglumide 0
                                                            proglumetacin 0
                                                              proglumetacin dimaleate 0
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