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CHEBI:68573 - indacaterol maleate
| Formula | C24H28N2O3.C4H4O4 |
| Net Charge | 0 |
| Average Mass | 508.571 |
| Monoisotopic Mass | 508.22095 |
| SMILES | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3nc(=O)ccc13)C2.O=C(O)/C=C\C(=O)O |
| InChI | InChI=1S/C24H28N2O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1 |
| InChIKey | IREJFXIHXRZFER-PCBAQXHCSA-N |
| Roles Classification |
|---|
| Biological Role: | beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. |
| Applications: | beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indacaterol maleate (CHEBI:68573) has part indacaterol(1+) (CHEBI:68574) |
| indacaterol maleate (CHEBI:68573) has role bronchodilator agent (CHEBI:35523) |
| indacaterol maleate (CHEBI:68573) has role β-adrenergic agonist (CHEBI:35522) |
| indacaterol maleate (CHEBI:68573) is a maleate salt (CHEBI:50221) |
| Incoming Relation(s) |
| Utibron Neohaler (CHEBI:90962) has part indacaterol maleate (CHEBI:68573) |
| IUPAC Names |
|---|
| 5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one (2Z)-but-2-enedioate |
| 5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium (2Z)-3-carboxyacrylate |
| Brand Name | Source |
|---|---|
| Arcapta neohaler | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| D09319 | KEGG DRUG |
| WO2008025816 | Patent |
| WO2005110402 | Patent |
| WO2005123684 | Patent |
| WO2004087668 | Patent |
| WO2004076422 | Patent |
| DB05039 | DrugBank |
| HMDB0015608 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12070553 | Reaxys |
| CAS:753498-25-8 | ChemIDplus |
| CAS:753498-25-8 | KEGG DRUG |
| Citations |
|---|