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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 19922
    role 19894
      biological role 19864
        xenobiotic 18740
          indometacin 3448
            proglumetacin 0
              proglumetacin dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            heteroorganic entity 19556
                              organochalcogen compound 19315
                                organooxygen compound 19205
                                  carbon oxoacid 18694
                                    carboxylic acid 18691
                                      carboacyl group 17723
                                        univalent carboacyl group 17723
                                          carbamoyl group 17576
                                            carboxamide 17576
                                              monocarboxylic acid amide 15748
                                                arenecarboxamide 8255
                                                  benzamides 8260
                                                    N(2)-benzoyl-N,N-dipropyl-alpha-glutamine 0
                                                      (R)-proglumide 0
                                                        proglumide 0
                                                          proglumetacin 0
                                                            proglumetacin dimaleate 0
paths to the root