loading...| Preferred Name |
indacaterol |
|
| Synonyms |
5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one QAB-149 5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one QAB 149 indacaterol QAB149 |
|
| Definitions |
A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68575 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22383666 PMID:22035851 PMID:21740451 PMID:22583463 Patent:WO2006128675 PMID:22122202 PMID:22578206 PMID:22471750 PMID:22079756 PMID:22419862 PMID:22611179 PMID:22483398 Patent:WO2005123684 PMID:22499359 DrugBank:DB05039 PMID:22452977 PMID:22732017 PMID:22119310 Patent:WO2010114472 PMID:22932315 PMID:22726538 PMID:22848154 PMID:22682643 CAS:312753-06-3 Reaxys:10392427 KEGG:D09318 PMID:21883146 PMID:22735463 PMID:22544891 Wikipedia:Indacaterol PMID:22356291 PMID:22573707 HMDB:HMDB0015608 PMID:22648561 Drug_Central:4183 |
|
| definition |
A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. |
|
| formula |
C24H28N2O3 |
|
| has role | ||
| has_exact_synonym |
5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
QAB-149 5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one QAB 149 indacaterol QAB149 |
|
| id |
CHEBI:68575 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 |
|
| inchikey |
QZZUEBNBZAPZLX-QFIPXVFZSA-N |
|
| is conjugate base of | ||
| label |
indacaterol |
|
| mass |
392.49070 |
|
| monoisotopicmass |
392.20999 |
|
| notation |
CHEBI:68575 |
|
| prefLabel |
indacaterol |
|
| smiles |
CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_46940 http://purl.obolibrary.org/obo/CHEBI_35681 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_46940 http://purl.obolibrary.org/obo/CHEBI_35681 |