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CHEBI:16794 - scopolamine
| Formula | C17H21NO4 |
| Net Charge | 0 |
| Average Mass | 303.358 |
| Monoisotopic Mass | 303.14706 |
| SMILES | 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/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/t11-,12-,13-,14+,15-,16+/m1/s1 |
| InChIKey | STECJAGHUSJQJN-FWXGHANASA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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: | 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. 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. 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. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. 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. adjuvant Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| scopolamine (CHEBI:16794) has functional parent (S)-tropic acid (CHEBI:30766) |
| scopolamine (CHEBI:16794) has role adjuvant (CHEBI:60809) |
| scopolamine (CHEBI:16794) has role anaesthesia adjuvant (CHEBI:60807) |
| scopolamine (CHEBI:16794) has role antidepressant (CHEBI:35469) |
| scopolamine (CHEBI:16794) has role antiemetic (CHEBI:50919) |
| scopolamine (CHEBI:16794) has role antispasmodic drug (CHEBI:53784) |
| scopolamine (CHEBI:16794) has role metabolite (CHEBI:25212) |
| scopolamine (CHEBI:16794) has role muscarinic antagonist (CHEBI:48876) |
| scopolamine (CHEBI:16794) has role mydriatic agent (CHEBI:50513) |
| scopolamine (CHEBI:16794) is a epoxide (CHEBI:32955) |
| scopolamine (CHEBI:16794) is a propanoate ester (CHEBI:36243) |
| scopolamine (CHEBI:16794) is a tertiary amino compound (CHEBI:50996) |
| scopolamine (CHEBI:16794) is a tropane alkaloid (CHEBI:37332) |
| scopolamine (CHEBI:16794) is conjugate base of scopolamine(1+) (CHEBI:61269) |
| Incoming Relation(s) |
| scopolamine methobromide (CHEBI:61276) has functional parent scopolamine (CHEBI:16794) |
| scopolamine(1+) (CHEBI:61269) is conjugate acid of scopolamine (CHEBI:16794) |
| IUPAC Name |
|---|
| (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate |
| Synonyms | Source |
|---|---|
| Scopolamine | KEGG COMPOUND |
| 6,7-Epoxytropine tropate | ChemIDplus |
| 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate | ChemIDplus |
| Hyoscine | ChemIDplus |
| alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester | ChemIDplus |
| (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate | ChEBI |
| Brand Name | Source |
|---|---|
| Transderm-Scop | KEGG DRUG |
| UniProt Name | Source |
|---|---|
| scopolamine | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C01851 | KEGG COMPOUND |
| DB00747 | DrugBank |
| D00138 | KEGG DRUG |
| Scopolamine | Wikipedia |
| HMDB0003573 | HMDB |
| SCOPOLAMINE | MetaCyc |
| C00002292 | KNApSAcK |
| Citations |
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