CHEBI:65349 - mirabegron

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ChEBI Name mirabegron ChEBI ID CHEBI:65349 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H24N4O2S Net Charge 0 Average Mass 396.50600 Monoisotopic Mass 396.16200 InChI 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 SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): beta-adrenergic agonist An agent that selectively binds to and activates beta-adrenergic receptors. Application(s): beta-adrenergic agonist An agent that selectively binds to and activates beta-adrenergic receptors. View more via ChEBI Ontology ChEBI Ontology Outgoing mirabegron (CHEBI:65349) has role β-adrenergic agonist (CHEBI:35522) mirabegron (CHEBI:65349) is a 1,3-thiazoles (CHEBI:38418) mirabegron (CHEBI:65349) is a aromatic amide (CHEBI:62733) mirabegron (CHEBI:65349) is a ethanolamines (CHEBI:23981) mirabegron (CHEBI:65349) is a monocarboxylic acid amide (CHEBI:29347) IUPAC Name 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide INN Source mirabegron ChemIDplus Brand Name Source Myrbetriq ChEBI Manual Xrefs Databases 4382 DrugCentral D09535 KEGG DRUG EP1559427 Patent EP2119700 Patent View more database links Registry Numbers Types Sources 11023250 Reaxys Registry Number Reaxys 223673-61-8 CAS Registry Number KEGG DRUG 223673-61-8 CAS Registry Number ChemIDplus Citations Types Sources 20878594 PubMed citation Europe PMC 21142693 PubMed citation Europe PMC 21510978 PubMed citation Europe PMC 22269146 PubMed citation Europe PMC 22317789 PubMed citation Europe PMC 22384458 PubMed citation Europe PMC 22411211 PubMed citation Europe PMC 22430195 PubMed citation Europe PMC 22509825 PubMed citation Europe PMC 22687876 PubMed citation Europe PMC 22691895 PubMed citation Europe PMC 22734512 PubMed citation Europe PMC 22734513 PubMed citation Europe PMC 22821779 PubMed citation Europe PMC Last Modified 22 February 2017