Methscopolamine (CED0009647)

Record Information

Version

1.0

Creation Date

2026-04-06 04:11:43 UTC

Update Date

2026-05-14 19:08:40 UTC

Accession Number

CHEM117399

Identification

Common Name

Methscopolamine

Class

Small Molecule

Description

Methscopolamine is an organic compound with the formula C18H24NO4 and an average molecular weight of 318.39 g/mol. Methscopolamine belongs to the beta hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. This compound is found in or released from three recorded sources, including pharmaceuticals & veterinary products such as mydriatics and cycloplegics, antispasmodics in combination with psycholeptics, and belladonna and derivatives. The recorded route of exposure is oral. In terms of its biological activity, methscopolamine acts as an antagonist for two recorded protein targets: the muscarinic acetylcholine receptor M2 (CHRM2) and the muscarinic acetylcholine receptor M3 (CHRM3).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₄NO₄

Average Molecular Mass

318.392 g/mol

Monoisotopic Mass

318.171 g/mol

CAS Registry Number

13265-10-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

InChI Identifier

InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1

InChI Key

LZCOQTDXKCNBEE-IKIFYQGPSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-0900000000-cb28eb5cc55b780e740e	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0709000000-bd930f92c560745ef9cb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0902000000-63352f42e53b4cc50dce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0h6s-2900000000-4e19702f364be7f0ca18	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-eaf967b8ee2e0c6b5f37	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gb9-0619000000-40ffeadc13c8c41d0e4e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udl-4910000000-87d2c32b7557d96ae92c	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1342.0	Log mg/kg	[750:2400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
244	Belladonna and derivatives, plain	Healthcare, pharmaceuticals & veterinary products	Not Available
245	Antispasmodics in combination with psycholeptics	Healthcare, pharmaceuticals & veterinary products	Not Available
399	Mydriatics and cycloplegics	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Muscarinic receptor 4	Q8VH25	Cavia porcellus	Predicted (SEA)	0.0778492
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	2.25763
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	0.934191
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	1.79053
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	1.47914
Click to view 3D structure	Muscarinic receptor 2	Q8VH27	Cavia porcellus	Predicted (SEA)	0.778492
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08911	Rattus norvegicus	Predicted (SEA)	1.71268
Click to view 3D structure	Muscarinic acetylcholine receptor DM1	P16395	Drosophila melanogaster	Predicted (SEA)	0.778492
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	403.648
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	172.747
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	11.1324
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	116.385
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	634.938
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	255.345
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	131.409
Click to view 3D structure	Thymidine kinase 2	D3ZGQ2	Rattus norvegicus	Predicted (SEA)	6.53933
Click to view 3D structure	Adhesion G-protein coupled receptor F1	Q5T601	Humans	Predicted (SEA)	2.64687
Click to view 3D structure	Glutathione S-transferase theta-1	Q01579	Rattus norvegicus	Predicted (SEA)	5.91654