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CHEBI:61271 - scopolamine hydrobromide (anhydrous)
| Formula | C17H21NO4.HBr |
| Net Charge | 0 |
| Average Mass | 384.270 |
| Monoisotopic Mass | 383.07322 |
| SMILES | Br.CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 |
| InChI | InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1 |
| InChIKey | WTGQALLALWYDJH-MOUKNHLCSA-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. |
| Application: | 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) |
| scopolamine hydrobromide (anhydrous) (CHEBI:61271) has part scopolamine(1+) (CHEBI:61269) |
| scopolamine hydrobromide (anhydrous) (CHEBI:61271) has role muscarinic antagonist (CHEBI:48876) |
| scopolamine hydrobromide (anhydrous) (CHEBI:61271) is a hydrobromide (CHEBI:48367) |
| Incoming Relation(s) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has part scopolamine hydrobromide (anhydrous) (CHEBI:61271) |
| IUPAC Names |
|---|
| (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide |
| (1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide |
| Synonyms | Source |
|---|---|
| (−)-scopolamine hydrobromide (anhydrous) | ChEBI |
| (−)-scopolamine hydrobromide | ChemIDplus |
| hyoscine bromide | ChemIDplus |
| scopolamine bromide (anhydrous) | ChEBI |
| (−)-scopolamine bromide (anhydrous) | ChEBI |
| scopolaminium bromide | ChemIDplus |