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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: | 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. 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) |
| 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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