BENZYLDIMETHYL(2-PHENOXYETHYL)AMMONIUM IODIDE

US Previously Marketed

First approved in 1967

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H22NO.I
Molecular Weight	383.2672
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYLDIMETHYL(2-PHENOXYETHYL)AMMONIUM IODIDE

Structure Search

SMILES

[I-].C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChIKey=DIOXOSVQQBOCNQ-UHFFFAOYSA-M

InChI=1S/C17H22NO.HI/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;/h3-12H,13-15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	HI
Molecular Weight	127.9124
Charge	0
Count

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

Molecular Formula	C17H22NO
Molecular Weight	256.3627
Charge	1
Count

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

Description
Sources: https://www.hopkinsguides.com/hopkins/view/Johns_Hopkins_ABX_Guide/540057/all/Bephenium_hydroxynaphthoate | https://www.ncbi.nlm.nih.gov/pubmed/14406934 | https://www.ncbi.nlm.nih.gov/pubmed/22526556

BEPHENIUM HYDROXYNAPHTHOATE is an anthelmintic agent used in the treatment of hookworm and roundworm infections (Ancylostoma duodenale, Ascaris lumbricoides, and Necatore americanus). It targets the AChRs of nematodes producing spastic paralysis of the worms.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
B-type AChR, nematode 2 Target ID: B-type AChR, nematode Sources: https://www.ncbi.nlm.nih.gov/pubmed/22526556	Agonist 2678
Ascaris suum 2 Target ID: CHEMBL613136 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14406934	Inhibitor 8297

PubMed

Title	Date	PubMed
Bephenium hydroxynaphthoate in treatment of ascariasis.	1960 Jul 23	14406934
Pyrantel Embonate And Bephenium Hydroxynaphthoate In The Treatment Of Hookworm Infection.	1975 Jun	12913463
Selective effect of the anthelmintic bephenium on Haemonchus contortus levamisole-sensitive acetylcholine receptors.	2012 Jun	22526556

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:36:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:36:57 GMT 2023`
Record UNII	23C4NV95ZG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYLDIMETHYL(2-PHENOXYETHYL)AMMONIUM IODIDE

Systematic Name

English

NSC-131401

Code

English

Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, iodide (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80935826