Preferred Name |
mirabegron |
|
Synonyms |
Myrbetriq mirabegron 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide |
|
Definitions |
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_65349 |
|
charge |
0 |
|
database_cross_reference |
PMID:21142693 PMID:22269146 PMID:22430195 PMID:22411211 Patent:EP1559427 Patent:EP2119700 KEGG:D09535 PMID:22734513 Reaxys:11023250 PMID:20878594 CAS:223673-61-8 PMID:22384458 Drug_Central:4382 PMID:22691895 PMID:22317789 PMID:21510978 PMID:22734512 PMID:22687876 PMID:22821779 PMID:22509825 |
|
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. |
|
formula |
C21H24N4O2S |
|
has role | ||
has_exact_synonym |
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Myrbetriq mirabegron |
|
id |
CHEBI:65349 |
|
in_subset | ||
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 |
|
label |
mirabegron |
|
mass |
396.50600 |
|
monoisotopicmass |
396.16200 |
|
notation |
CHEBI:65349 |
|
prefLabel |
mirabegron |
|
smiles |
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_23981 http://purl.obolibrary.org/obo/CHEBI_62733 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23981 http://purl.obolibrary.org/obo/CHEBI_62733 |