METHYLBENACTYZIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H28NO3
Molecular Weight	342.4519
Optical Activity	NONE
Defined Stereocenters	0 / 0
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 / 0
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 86 Target ID: CHEMBL1821 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2778	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 2778	1.54 nM [Ki]
Muscarinic acetylcholine receptor M3 159 Target ID: CHEMBL245 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2778	4.25 nM [Ki]
Muscarinic acetylcholine receptor M1 169 Target ID: CHEMBL216 Sources: http://www.genome.jp/dbget-bin/www_bget?D01315 \| https://www.ncbi.nlm.nih.gov/pubmed/23523385	Antagonist 2778	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 8429	Finalin Approved Use Nocturnal enuresis, gastrointestinal spasm

PubMed

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

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 `Fri Dec 15 18:37:44 GMT 2023` Edited by `admin` on `Fri Dec 15 18:37:44 GMT 2023`
Record UNII	38C3R34UK2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLBENACTYZIUM

Common Name

English

METHYLBENACTYZIUM ION

Common Name

English

DIETHYLLACHESINE

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