N-Methylscopolamine
Basic information
- CAS
13265-10-6- Standard SMILES
C[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12- InChIKey
LZCOQTDXKCNBEE-IKIFYQGPSA-N- Molecular formula
- C18H24NO4+
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.17053325
Overview
Methscopolamine is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- N-Methylscopolamine
- IUPAC
- [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
- English name
- Methscopolamine
- Molecular formula
- C18H24NO4+
- Molecular weight
- 318.39
Names & synonyms
N-MethylscopolamineN-methyl scopolamineBromide, N-MethylscopolamineHyoscine MethiodideN Methylscopolamine(1R,2R,4S,5S)-7-(((2S)-3-hydroxy-2-phenylpropanoyl)oxy)-9,9-dimethyl-3-oxa-9-azatricyclo(3.3.1.0^(2,4))nonan-9-ium(1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-iumMethiodide, HyoscineMethobromide, HyoscineRefChem:56667Methylbromide, ScopolamineNitrate, Methylscopolamine
Show more names
D019832MethscopolamineN-MethylhyoscineMETHYLSCOPOLAMINE(-)-N-Methylscopolamine
N Methylscopolamine IodideN Methylscine MethylsulfateN Methylscopolamine BromideN Methylscopolamine NitrateIodide, N-MethylscopolamineMethylsulfate, N-MethylscineNitrate, N-MethylscopolamineN Methylscopolamine Methylchloride
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 454
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Human Drugs
Breast Feeding; Lactation; Milk, Human; Muscarinic Antagonists; Parasympatholytics
Pharmaceuticals
Collision Cross Section160.1 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- FDA UNII
- 9 VTQ8U · VDR09VTQ8U
- ATC code
- 3 BB03,S01FA03 · A03BB03,S01FA03
- Hazardous Substances Data
- 13265 · 13265-10-6(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- Hazardous Substances Data
- 13265-10-6(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Pharmacodynamics
Methscopolamine bromide is an anticholinergic agent which possesses most of the pharmacologic actions of that drug class. These include reduction in volume and total acid content of gastric secretion, inhibition of gastrointestinal motility, inhibition of salivary excretion, dilation of the pupil and inhibition of accommodation with resulting blurring of vision. Large doses may result in tachycardia [Dailymed].
FDA Pharmacological Classification
VDR09VTQ8U
METHSCOPOLAMINE
Established Pharmacologic Class [EPC] - Anticholinergic
Mechanisms of Action [MoA] - Cholinergic Antagonists
Methscopolamine is an Anticholinergic. The mechanism of action of methscopolamine is as a Cholinergic Antagonist.
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesMethscopolamine inhibits the muscarinic action of acetylcholine on postganlionic para sympathetic effector regions. It is used for treating stomach ulcers.
Additional notes
DefinitionChEBI: Methscopolamine is a 3-hydroxy carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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