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CHEBI:5957 - ipratropium bromide hydrate
| Formula | Br.C20H30NO3.H2O |
| Net Charge | 0 |
| Average Mass | 430.383 |
| Monoisotopic Mass | 429.15147 |
| SMILES | [Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@H](OC(=O)C(CO)c3ccccc3)C1)[N@+]2(C)C(C)C |
| InChI | InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;; |
| InChIKey | KEWHKYJURDBRMN-ZEODDXGYSA-M |
| 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) |
| ipratropium bromide hydrate (CHEBI:5957) has part ipratropium bromide (CHEBI:46659) |
| ipratropium bromide hydrate (CHEBI:5957) has role bronchodilator agent (CHEBI:35523) |
| ipratropium bromide hydrate (CHEBI:5957) has role muscarinic antagonist (CHEBI:48876) |
| ipratropium bromide hydrate (CHEBI:5957) is a hydrate (CHEBI:35505) |
| IUPAC Name |
|---|
| (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide—water (1/1) |
| Synonyms | Source |
|---|---|
| ipratropium bromide | ChemIDplus |
| ipratropium bromide hydrate | ChemIDplus |
| ipratropium bromide monohydrate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:66985-17-9 | ChemIDplus |