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ONTOLOGY REPORT - ANNOTATIONS


Term:mirabegron
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Accession:CHEBI:65349 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-amino-1,3-thiazol-4-ylacetic acid with the anilino group of (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol. Used for the treatment of overactive bladder syndrome.
Synonyms:exact_synonym: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide
 related_synonym: Formula=C21H24N4O2S;   InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1;   InChIKey=PBAPPPCECJKMCM-IBGZPJMESA-N;   Myrbetriq;   SMILES=Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
 xref: CAS:223673-61-8 "ChemIDplus";   CAS:223673-61-8 "KEGG DRUG";   Drug_Central:4382 "DrugCentral";   KEGG:D09535;   PMID:20878594 "Europe PMC";   PMID:21142693 "Europe PMC";   PMID:21510978 "Europe PMC";   PMID:22269146 "Europe PMC";   PMID:22317789 "Europe PMC";   PMID:22384458 "Europe PMC";   PMID:22411211 "Europe PMC";   PMID:22430195 "Europe PMC";   PMID:22509825 "Europe PMC";   PMID:22687876 "Europe PMC";   PMID:22691895 "Europe PMC";   PMID:22734512 "Europe PMC";   PMID:22734513 "Europe PMC";   PMID:22821779 "Europe PMC";   Patent:EP1559427;   Patent:EP2119700;   Reaxys:11023250 "Reaxys"


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  CHEBI ontology 838
    role 815
      application 447
        refrigerant 197
          ammonia 196
            organic amino compound 196
              amino alcohol 3
                ethanolamines 3
                  mirabegron 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 838
    subatomic particle 822
      composite particle 822
        hadron 822
          baryon 822
            nucleon 822
              atomic nucleus 822
                atom 822
                  main group element atom 810
                    p-block element atom 807
                      carbon group element atom 778
                        carbon atom 774
                          organic molecular entity 774
                            organic group 358
                              organic divalent group 356
                                organodiyl group 356
                                  carbonyl group 355
                                    carbonyl compound 355
                                      carboxylic acid 242
                                        carboacyl group 156
                                          univalent carboacyl group 156
                                            carbamoyl group 153
                                              carboxamide 153
                                                monocarboxylic acid amide 77
                                                  mirabegron 0
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