DOTEFONIUM BROMIDE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H27N2O2S.Br
Molecular Weight	439.41
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOTEFONIUM BROMIDE

Structure Search

SMILES

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

InChI

InChIKey=UAZAHFDNEPPZHN-UHFFFAOYSA-M

InChI=1S/C20H27N2O2S.BrH/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

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 16:03:32 GMT 2023` Edited by `admin` on `Fri Dec 15 16:03:32 GMT 2023`
Record UNII	D762286A5N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOTEFONIUM BROMIDE

Official Name

English

dotefonium bromide [INN]

Common Name

English

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

Common Name

English

H-4132

Code

English

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

Common Name

English

PYRROLIDINIUM, 1-(2-((HYDROXYPHENYL-2-THIENYLACETYL)METHYLAMINO)ETHYL)-1-METHYL-, BROMIDE

Systematic Name

English

H 4132

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29696

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

Code System Code Type Description

EVMPD

SUB06379MIG

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

PRIMARY

CAS

26058-50-4

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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ChEMBL

CHEMBL2110880

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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PUBCHEM

71913

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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EPA CompTox

DTXSID20948935

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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FDA UNII

D762286A5N

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

PRIMARY

INN

2934

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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NCI_THESAURUS

C65471

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

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SMS_ID

100000080789

Created by admin on Fri Dec 15 16:03:32 GMT 2023 , Edited by admin on Fri Dec 15 16:03:32 GMT 2023

PRIMARY

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ENANTIOMER -> RACEMATE

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ACTIVE MOIETY