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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: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;   Drug_Central:4382;   KEGG:D09535
 xref_mesh: MESH:C520025
 xref: PMID:20878594;   PMID:21142693;   PMID:21510978;   PMID:22269146;   PMID:22317789;   PMID:22384458;   PMID:22411211;   PMID:22430195;   PMID:22509825;   PMID:22687876;   PMID:22691895;   PMID:22734512;   PMID:22734513;   PMID:22821779;   Patent:EP1559427;   Patent:EP2119700;   Reaxys:11023250


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              amino alcohol 0
                ethanolamines 0
                  mirabegron 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                mirabegron 0
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