loading...| 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 |
|
| alternative term |
Myrbetriq mirabegron 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide |
|
| bearer_of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:20878594 PMID:21510978 Patent:EP2119700 Drug_Central:4382 KEGG:D09535 PMID:22411211 CAS:223673-61-8 Reaxys:11023250 PMID:22317789 PMID:22691895 Patent:EP1559427 PMID:22734512 PMID:22734513 PMID:22509825 PMID:22384458 PMID:22687876 PMID:22269146 PMID:22430195 PMID:22821779 PMID:21142693 |
|
| 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 |
|
| has_RxCUI |
1300786 |
|
| 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 |
|
| prefixIRI |
CHEBI:65349 |
|
| prefLabel |
mirabegron |
|
| smiles |
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 |
|
| textual 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. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23981 http://purl.obolibrary.org/obo/CHEBI_62733 |