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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      biological role 19722
        xenobiotic 18642
          indometacin 3193
            proglumetacin 0
              proglumetacin dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19644
                        carbon atom 19640
                          organic molecular entity 19640
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18799
                                    carbonyl compound 18799
                                      carboxylic acid 18515
                                        carboacyl group 17655
                                          univalent carboacyl group 17655
                                            carbamoyl group 17498
                                              carboxamide 17498
                                                monocarboxylic acid amide 15559
                                                  arenecarboxamide 7311
                                                    benzamides 7311
                                                      N(2)-benzoyl-N,N-dipropyl-alpha-glutamine 0
                                                        (R)-proglumide 0
                                                          proglumide 0
                                                            proglumetacin 0
                                                              proglumetacin dimaleate 0
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