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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 19874
    role 19844
      biological role 19842
        xenobiotic 18722
          indometacin 3447
            proglumetacin 0
              proglumetacin dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      carboacyl group 17694
                                        univalent carboacyl group 17694
                                          carbamoyl group 17545
                                            carboxamide 17545
                                              monocarboxylic acid amide 15727
                                                arenecarboxamide 8254
                                                  benzamides 8254
                                                    N(2)-benzoyl-N,N-dipropyl-alpha-glutamine 0
                                                      (R)-proglumide 0
                                                        proglumide 0
                                                          proglumetacin 0
                                                            proglumetacin dimaleate 0
paths to the root