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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: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. |
| 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 |
|---|---|
| BA-679 BR | ChemIDplus |
| 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 |
| (1α,2β,4β,5α,7β)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9806715 | Reaxys |
| CAS:186691-13-4 | ChemIDplus |
| Citations |
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