Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H20NOS.I
Molecular Weight	389.295
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide

Structure Search

SMILES

[I-].C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2

InChI

InChIKey=MEYDOHSRJJCPTC-UHFFFAOYSA-M

InChI=1S/C15H20NOS.HI/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	I
Molecular Weight	126.9045
Charge	-1
Count

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

Molecular Formula	C15H20NOS
Molecular Weight	262.39
Charge	1
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15313135 | https://www.ncbi.nlm.nih.gov/pubmed/13875028 | http://pocayo.com/Tutorial/topic-212/Veterinary-Procedures-and-Emergency-Treatment-737.html

Cholinergic anthelmintic, Thenium is used against dog and cat hookworms.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
acetylcholine metabolic process 11 Target ID: GO:0008291 Sources: https://www.ncbi.nlm.nih.gov/pubmed/629460 \| https://www.ncbi.nlm.nih.gov/pubmed/15313135 \| https://www.ncbi.nlm.nih.gov/pubmed/19295856 \| https://link.springer.com/referenceworkentry/10.1007/3-540-29835-5_2008	Modulator 828

Conditions

Condition	Modality	Targets	Highest Phase	Product
Helminthiasis 39 Sources: https://www.ncbi.nlm.nih.gov/pubmed/629460 https://www.ncbi.nlm.nih.gov/pubmed/13875028 https://www.ncbi.nlm.nih.gov/pubmed/629460	Curative		Approved 8429	CANOPAR Approved Use Antiparasitic; hookworms Launch Date 1961

PubMed

Title	Date	PubMed
Oxantel is an N-type (methyridine and nicotine) agonist not an L-type (levamisole and pyrantel) agonist: classification of cholinergic anthelmintics in Ascaris.	2004 Aug	15313135

Patents

Sample Use Guides

In Vivo Use Guide

Dog: >4.5 kg, 500 mg PO once and repeat in 2-3 wk; 2.5-4.5 kg, 250 mg q12h for 1 day and repeat in 2-3 wk

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:56:41 GMT 2023` Edited by `admin` on `Sat Dec 16 07:56:41 GMT 2023`
Record UNII	TEE3UX9LJS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide

Systematic Name

English

2-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, iodide

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

57372628

Created by admin on Sat Dec 16 07:56:41 GMT 2023 , Edited by admin on Sat Dec 16 07:56:41 GMT 2023

PRIMARY

CAS

109732-56-1

Created by admin on Sat Dec 16 07:56:41 GMT 2023 , Edited by admin on Sat Dec 16 07:56:41 GMT 2023

PRIMARY

EPA CompTox

DTXSID7049055

Created by admin on Sat Dec 16 07:56:41 GMT 2023 , Edited by admin on Sat Dec 16 07:56:41 GMT 2023

PRIMARY

FDA UNII

TEE3UX9LJS

Created by admin on Sat Dec 16 07:56:41 GMT 2023 , Edited by admin on Sat Dec 16 07:56:41 GMT 2023

PRIMARY

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Amount:

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					3DDR181HS3

Thenium

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15313135 | https://www.ncbi.nlm.nih.gov/pubmed/13875028 | http://pocayo.com/Tutorial/topic-212/Veterinary-Procedures-and-Emergency-Treatment-737.html

Originator

Approval Year

Targets

Conditions

Approved Use

Launch Date

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15313135 | https://www.ncbi.nlm.nih.gov/pubmed/13875028 | http://pocayo.com/Tutorial/topic-212/Veterinary-Procedures-and-Emergency-Treatment-737.html