Scopolamine - Compound Summary (CID 5809)
An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Among the many uses are as an anesthetic premedication, in URINARY INCONTINENCE, in MOTION SICKNESS, as an antispasmodic, and as a mydriatic and cycloplegic.
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 Drug and Chemical Information: (Total:1)
Adjuvants, Anesthesia
- Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage. | Mydriatics
- Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. The latter cause cycloplegia or paralysis of ... Mydriatics
- Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. The latter cause cycloplegia or paralysis of accommodation at high doses and may precipitate glaucoma. Mydriatics are used in eye diseases and to facilitate eye examination.  | Cholinergic Antagonists
- Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists. | Muscarinic Antagonists
- Drugs that bind to but do not activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC), thereby blocking the actions of endogenous ... Muscarinic Antagonists
- Drugs that bind to but do not activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC), thereby blocking the actions of endogenous acetylcholine or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system. Antagonists that discriminate among the various muscarinic receptor subtypes and might allow better control of peripheral and central actions are under development. |
Pharmacological Classification Chemical ClassificationSafety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | EINECS - European Inventory of Existing Commercial Chemical Substances | EINECS - European Inventory of Existing Commercial Chemical Substances | GENETOX - Genetic toxicology information | GENETOX - Genetic toxicology information | TOXLINE - Citations to the toxicological literature | TOXLINE - Citations to the toxicological literature | ClinicalTrials.gov - Registry of federal and private clinical trials |
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 Properties Computed from Structure:
| Molecular Weight | 303.35294 [g/mol] | | Molecular Formula | C17H21NO4 | | XLogP3 | 0.9 | | H-Bond Donor | 1 | | H-Bond Acceptor | 5 | | Rotatable Bond Count | 5 | | Exact Mass | 303.147058 | | MonoIsotopic Mass | 303.147058 | | Topological Polar Surface Area | 62.3 | | Heavy Atom Count | 22 | | Formal Charge | 0 | | Complexity | 418 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 4 | | Undefined Atom StereoCenter Count | 1 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Isomeric SMILES: CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4
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+/m0/s1
InChIKey: STECJAGHUSJQJN-OYVHKFOJSA-N
Compound Information:
 Substance Information:
Substances:
All: 11 Links Same structure: 3 Links Mixture: 8 LinksCategory: [for same structure substances]
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  |  | Compound ID | 5809 |
| | Molecular Weight | 303.35294 [g/mol] |
| | Molecular Formula | C17H21NO4 |
| | XLogP3 | 0.9 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 5 |
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Reason: 3D generation failed.