METHYLBENACTYZIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H28NO3
Molecular Weight	342.4519
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=HDAMOICMOAXFLJ-UHFFFAOYSA-N

InChI=1S/C21H28NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24H,4-5,16-17H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula	C21H27NO3
Molecular Weight	341.444
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://en.pharmacodia.com/web/drug/1_12002.html#onlineretailersBasic | https://www.ncbi.nlm.nih.gov/pubmed/1855719 | http://www.ndrugs.com/?s=finalin

Methylbenactyzium bromide has been used as a spasmolytic for the treatment of gastrointestinal ulcer and gastrointestinal spasms.

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Potency
Muscarinic acetylcholine receptor M4 87 Target ID: CHEMBL1821 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2849	13.2 nM [Ki]
Muscarinic acetylcholine receptor M2 121 Target ID: CHEMBL211 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2849	1.54 nM [Ki]
Muscarinic acetylcholine receptor M3 160 Target ID: CHEMBL245 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2849	4.25 nM [Ki]
Muscarinic acetylcholine receptor M1 168 Target ID: CHEMBL216 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2849	1.59 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gastrointestinal spasm 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14453620 http://www.ndrugs.com/?s=methylbenactyzium http://en.pharmacodia.com/web/drug/1_12002.html#onlineretailersBasic	Primary		Approved 8583	Finalin Approved Use Nocturnal enuresis, gastrointestinal spasm

PubMed

Title	Date	PubMed
Analysis of methylbenactyzium bromide in human urine by thin-layer chromatography and pyrolysis gas chromatography.	1991-03	1855719
A highly sensitive HPLC method for the assay of propantheline used to measure its uptake by rat intestinal brush border membrane vesicles.	1987-01	2880994

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:17:22 GMT 2025` Edited by `admin` on `Mon Mar 31 19:17:22 GMT 2025`
Record UNII	38C3R34UK2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIETHYLLACHESINE

Preferred Name

English

METHYLBENACTYZIUM

Common Name

English

METHYLBENACTYZIUM ION

Common Name

English

METHYLBENACTYZIUM CATION

Common Name

English

Methylbenactyzium [WHO-DD]

Common Name

English

ETHANAMINIUM, N,N-DIETHYL-2-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-N-METHYL-

Systematic Name

English

N,N-DIETHYL-2-((HYDROXY(DIPHENYL)ACETYL)OXY)-N-METHYLETHANAMINIUM

Systematic Name

English

DIETHYL-(2-(2-HYDROXY-2,2-DI(PHENYL)ACETYL)OXYETHYL)-METHYLAZANIUM

Systematic Name

English

Code System Code Type Description

PUBCHEM

4134