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CHEBI:61272 - scopolamine hydrobromide trihydrate
| Formula | C17H21NO4.3H2O.HBr |
| Net Charge | 0 |
| Average Mass | 438.315 |
| Monoisotopic Mass | 437.10491 |
| SMILES | Br.CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.O.O.O |
| InChI | InChI=1S/C17H21NO4.BrH.3H2O/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;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1 |
| InChIKey | LACQPOBCQQPVIT-SEYKEWMNSA-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. antiemetic A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors. mydriatic agent Agent that dilates the pupil. Used in eye diseases and to facilitate eye examination. It may be either a sympathomimetic or parasympatholytic. The latter cause cycloplegia or paralysis of accommodation at high doses and may precipitate glaucoma. 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. anaesthesia adjuvant Any substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has part scopolamine hydrobromide (anhydrous) (CHEBI:61271) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has role anaesthesia adjuvant (CHEBI:60807) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has role antiemetic (CHEBI:50919) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has role antispasmodic drug (CHEBI:53784) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has role muscarinic antagonist (CHEBI:48876) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) has role mydriatic agent (CHEBI:50513) |
| scopolamine hydrobromide trihydrate (CHEBI:61272) is a hydrate (CHEBI:35505) |
| IUPAC Names |
|---|
| (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—water (1/3) |
| (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—water (1/3) |
| Synonyms | Source |
|---|---|
| hyoscine hydrobromide trihydrate | ChemIDplus |
| scopolamine hydrobromide | ChemIDplus |
| (−)-scopolamine hydrobromide trihydrate | ChemIDplus |
| scopolaminium bromide trihydrate | ChEBI |
| scopolammonium bromide trihydrate | ChEBI |
| Brand Names | Source |
|---|---|
| Hysco | KEGG DRUG |
| Isopto hyoscine | KEGG DRUG |