DOTEFONIUM

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H27N2O2S
Molecular Weight	359.506
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of DOTEFONIUM

Structure Search

SMILES

CN(CC[N+]1(C)CCCC1)C(=O)C(O)(C2=CC=CS2)C3=CC=CC=C3

InChI

InChIKey=JTZHVSMDSHENLZ-UHFFFAOYSA-N

InChI=1S/C20H27N2O2S/c1-21(12-15-22(2)13-6-7-14-22)19(23)20(24,18-11-8-16-25-18)17-9-4-3-5-10-17/h3-5,8-11,16,24H,6-7,12-15H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C20H26N2O2S
Molecular Weight	358.498
Charge	0
Count

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

Description
Sources: https://apps.who.int/iris/bitstream/handle/10665/67830/WHO_EDM_QSM_2003.2.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 468, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Dotefonium is the anticholinergic, spasmolytic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:28:27 GMT 2023` Edited by `admin` on `Fri Dec 15 16:28:27 GMT 2023`
Record UNII	F41A22A3KV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOTEFONIUM

Common Name

English

1-METHYL-1-(2-(N-METHYL-.ALPHA.-2-THIENYLMANDELAMIDO)ETHYL)PYRROLIDINIUM

Common Name

English

DOTEFONIUM CATION

Common Name

English

DOTEFONIUM ION

Common Name

English

PYRROLIDINIUM, 1-(2-((2-HYDROXY-2-PHENYL-2-(2-THIENYL)ACETYL)METHYLAMINO)ETHYL)-1-METHYL-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29704

Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023

Code System Code Type Description

FDA UNII

F41A22A3KV

Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023

PRIMARY

PUBCHEM

71914

Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023

PRIMARY

CAS

793604-71-4

Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023

PRIMARY

NCI_THESAURUS

C87490

Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023

PRIMARY

Related Record Type Details


					D762286A5N

DOTEFONIUM BROMIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					F41A22A3KV

ACTIVE MOIETY