Compound: N-Methylscopolamine
SMILES: O=C(O[C@@H]1C[C@H]2[N+](C)(C)[C@@H](C1)[C@H]3[C@@H]2O3)[C@@H](c4ccccc4)CO
InChIKey: LZCOQTDXKCNBEE-IKIFYQGPSA-N
Synonyms: N-Methylscopolamine, N-methyl scopolamine, Bromide, N-Methylscopolamine, Hyoscine Methiodide, N 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-ium, Methiodide, Hyoscine, Methobromide, Hyoscine, RefChem:56667, Methylbromide, Scopolamine, Nitrate, Methylscopolamine, N Methylscopolamine Iodide, N Methylscine Methylsulfate, N Methylscopolamine Bromide, N Methylscopolamine Nitrate, Iodide, N-Methylscopolamine, Methylsulfate, N-Methylscine, Nitrate, N-Methylscopolamine, N Methylscopolamine Methylchloride, DD234, Methylchloride, N-Methylscopolamine, methscopolamine, N-Methylhyoscine, 13265-10-6, (-)-n-methylscopolamine, Methscopolamine ion, Methscopolamine cation, VDR09VTQ8U, CHEMBL376897, CHEMBL3140030, [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate, Metylskopolamin, CHEMBL3091667, 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b), [3H]N-methylscopolamine, UNII-VDR09VTQ8U, [3H]N-methyl scopolamine, [3H]NMS, HSDB 5420, Methyl scopolamine, 3C0, N-methylscopolamine (NMS), SCHEMBL65398, GTPL316, GTPL317, METHSCOPOLAMINE [VANDF], cid_657297, DTXSID0046931, SCHEMBL29398023, BDBM37635, Oxitropium Bromide EP Impurity B, CHEBI:135361, LZCOQTDXKCNBEE-IKIFYQGPSA-N, LZCOQTDXKCNBEE-XJMZPCNVSA-N, BDBM214800, METHYLSCOPOLAMINE [WHO-DD], NMS, BDBM50241132, BDBM50494458, BDBM50538323, PDSP2_000640, DB11315, PD062645, NS00098775, AB00385828_19, BRD-K05224916-004-01-1, BRD-K48619321-004-16-8, Q27087955, (1R,2R,4S,5S,7s)-7-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium, (1R,2R,4S,5S,7s)-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,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, 3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-((2S)-3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-, 3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-, 7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane
Theoretical properties:
molecular_formula: C18H24NO4+
molecular_weight: 318.4 g/mol
exact_mass: 318.17053325 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 23
topological_polar_surface_area: 59.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Methscopolamine is a 3-hydroxy carboxylic acid.
chembl: METHSCOPOLAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Methylscopolamine or methscopolamine, usually provided as the bromide or nitrate salt, is an oral medication used along with other medications to treat peptic ulcers by reducing stomach acid secretion.  Proton pump inhibitors and antihistamine medications have made this use obsolete. It can also be used for stomach or intestinal spasms, to reduce salivation, and to treat motion sickness.  Methscopolamine is also commonly used as a drying agent, to dry up post-nasal drip, in cold, irritable bowel syndrome and allergy medications
Methscopolamine, a methylated derivative of scopolamine, is a muscarinic antagonist structurally similar to the neurotransmitter acetylcholine.  Its mechanism of action involves blocking the muscarinic acetylcholine receptors.
It was patented in 1902 and approved for medical use in 1947. Methscopolamine is an FDA-approved analog to hyoscine butylbromide.