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CHEBI:90960 - tiotropium
| Formula | C19H22NO4S2 |
| Net Charge | +1 |
| Average Mass | 392.522 |
| Monoisotopic Mass | 392.09848 |
| SMILES | [H][C@]12C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@]([H])([C@H]3O[C@H]31)[N+]2(C)C |
| InChI | InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ |
| InChIKey | LERNTVKEWCAPOY-DZZGSBJMSA-N |
| Roles Classification |
|---|
| Biological Role: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| Applications: | bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tiotropium (CHEBI:90960) has role bronchodilator agent (CHEBI:35523) |
| tiotropium (CHEBI:90960) has role muscarinic antagonist (CHEBI:48876) |
| tiotropium (CHEBI:90960) is a quaternary ammonium ion (CHEBI:35267) |
| Synonyms | Source |
|---|---|
| (1α,2β,4β,5α,7β)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane | IUPAC |
| 7-((hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane | ChemIDplus |
| BA 679 BR | ChemIDplus |
| BA-679 BR | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9806715 | Reaxys |
| CAS:186691-13-4 | ChemIDplus |
| Citations |
|---|