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CHEBI:32230 - tiotropium bromide hydrate
| Formula | Br.C19H22NO4S2.H2O |
| Net Charge | 0 |
| Average Mass | 490.441 |
| Monoisotopic Mass | 489.02793 |
| SMILES | O.[Br-].[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.BrH.H2O/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;1H;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;; |
| InChIKey | MQLXPRBEAHBZTK-SEINRUQRSA-M |
| Wikipedia |
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| Roles Classification |
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| 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 bromide hydrate (CHEBI:32230) has role bronchodilator agent (CHEBI:35523) |
| tiotropium bromide hydrate (CHEBI:32230) has role muscarinic antagonist (CHEBI:48876) |
| tiotropium bromide hydrate (CHEBI:32230) is a hydrate (CHEBI:35505) |
| Incoming Relation(s) |
| Stiolto Respimat (CHEBI:90958) has part tiotropium bromide hydrate (CHEBI:32230) |
| Synonyms | Source |
|---|---|
| Tiotropium bromide monohydrate | KEGG DRUG |
| 6beta,7beta-Epoxy-3beta-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide, di-2-thienylglycolate | ChemIDplus |
| (1α,2β,4β,5α,7β)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide—water (1/1) | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| D01929 | KEGG DRUG |
| Tiotropium_bromide | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:13952485 | Reaxys |
| CAS:411207-31-3 | ChemIDplus |
| CAS:411207-31-3 | KEGG DRUG |
| Citations |
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