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CHEBI:145697 - butropium
| Formula | C28H38NO4 |
| Net Charge | +1 |
| Average Mass | 452.615 |
| Monoisotopic Mass | 452.27954 |
| SMILES | CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1 |
| InChI | InChI=1S/C28H38NO4/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3/q+1/t23-,24+,26+,27-,29?/m1/s1 |
| InChIKey | ALVDDLOWVXJXCD-OTSXCXJCSA-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. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butropium (CHEBI:145697) has role antispasmodic drug (CHEBI:53784) |
| butropium (CHEBI:145697) has role muscarinic antagonist (CHEBI:48876) |
| butropium (CHEBI:145697) is a aromatic ether (CHEBI:35618) |
| butropium (CHEBI:145697) is a bridged compound (CHEBI:35990) |
| butropium (CHEBI:145697) is a carboxylic ester (CHEBI:33308) |
| butropium (CHEBI:145697) is a quaternary ammonium ion (CHEBI:35267) |
| Incoming Relation(s) |
| butropium bromide (CHEBI:31327) has part butropium (CHEBI:145697) |
| IUPAC Name |
|---|
| (3-endo)-8-(4-butoxybenzyl)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane |
| Manual Xrefs | Databases |
|---|---|
| 456 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:107080-63-7 | ChemIDplus |
| Citations |
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