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CHEBI:145701 - butylscopolamine
| Formula | C21H30NO4 |
| Net Charge | +1 |
| Average Mass | 360.474 |
| Monoisotopic Mass | 360.21693 |
| SMILES | CCCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 |
| InChI | InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1 |
| InChIKey | YBCNXCRZPWQOBR-WVHCHWADSA-N |
| Roles Classification |
|---|
| Biological Roles: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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) |
| butylscopolamine (CHEBI:145701) has role antispasmodic drug (CHEBI:53784) |
| butylscopolamine (CHEBI:145701) has role muscarinic antagonist (CHEBI:48876) |
| butylscopolamine (CHEBI:145701) is a carboxylic ester (CHEBI:33308) |
| butylscopolamine (CHEBI:145701) is a epoxide (CHEBI:32955) |
| butylscopolamine (CHEBI:145701) is a quaternary ammonium ion (CHEBI:35267) |
| butylscopolamine (CHEBI:145701) is a tropane alkaloid (CHEBI:37332) |
| Incoming Relation(s) |
| butylscopolamine bromide (CHEBI:32123) has part butylscopolamine (CHEBI:145701) |
| IUPAC Name |
|---|
| (2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane |
| Synonyms | Source |
|---|---|
| butilescopolamina | DrugBank |
| N-butylscopolamine | ChEBI |
| N-butylscopolammonium cation | DrugBank |
| N-butylscopolammonium | DrugBank |
| N-butylscopolammonium ion | DrugBank |
| butylscopolammonium | DrugCentral |
| Citations |
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