BENZILONIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H28NO3
Molecular Weight	354.4626
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CC[N+]1(CC)CCC(C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=ZKCWITXZGWUJAV-UHFFFAOYSA-N

InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C22H27NO3
Molecular Weight	353.4547
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/758136 | http://www.drugfuture.com/chemdata/benzilonium-bromide.html

Benzilonium is an antispasmodic and antimuscarinic drug. Benzilonium bromide is a quarternary antimuscarinic agent with minimal passage of the blood-brain barrier.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor 160 Target ID: CHEMBL2094109 Sources: http://www.genome.jp/dbget-bin/www_bget?drug+D03088 \| https://www.ncbi.nlm.nih.gov/pubmed/3841410 \| https://www.ncbi.nlm.nih.gov/pubmed/758136	Antagonist 2778

Conditions

Condition	Modality	Targets	Highest Phase	Product
Duodenal ulcer 42 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7423681 https://www.ncbi.nlm.nih.gov/pubmed/393571 https://www.ncbi.nlm.nih.gov/pubmed/929109	Primary		Approved 8429	Ulcoban Approved Use https://www.ncbi.nlm.nih.gov/pubmed/396650

PubMed

Title	Date	PubMed
Do enkephalins participate in vagal activation of gastric acid secretion in man?	1987 Jan	3562904

Patents

Sample Use Guides

In Vivo Use Guide

Intravenous injection of benzilonium bromide in a dose close to 70 ug/kg, and atropine in the low dose of 30 ug/kg inhibited the acid response to sham feeding by about 65%.

Route of Administration: Intravenous

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:18:49 GMT 2023` Edited by `admin` on `Fri Dec 15 17:18:49 GMT 2023`
Record UNII	GY56LQX77B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZILONIUM

Common Name

English

Benzilonium [WHO-DD]

Common Name

English

BENZILONIUM ION

Common Name

English

PYRROLIDINIUM, 1,1-DIETHYL-3-((HYDROXYDIPHENYLACETYL)OXY)

Common Name

English

BENZILONIUM CATION

Common Name

English

3-BENZILOYLOXY-1,1-DIETHYLPYRROLIDINIUM

Systematic Name

English

1,1-DIETHYL-3-HYDROXYPYRROLIDINIUM BENZILATE

Systematic Name

English

PYRROLIDINIUM, 1,1-DIETHYL-3-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-

Systematic Name

English

BENZILONE

Common Name

English

Classification Tree Code System Code

WHO-ATC

A03AB01