dodeclonium bromide (CHEBI:135977)

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ChEBI Name	dodeclonium bromide

ChEBI ID	CHEBI:135977

Definition	The organic bromide salt of dodeclonium. It is an antispetic drug and an ingredient found in creams such as Phlebocreme and Sedorrhoide which are recommended for use in some painful anal pathologies (hemorrhoidal crisis).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C22H39ClNO.Br

Net Charge

Average Mass

448.910

Monoisotopic Mass

447.19036

InChI

InChI=1S/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1

InChIKey

CKGHXNXUAQJNMJ-UHFFFAOYSA-M

SMILES

[Br-].CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(Cl)C=C1

Roles Classification
Application(s):	antiseptic drug A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).

ChEBI Ontology
Outgoing	dodeclonium bromide (CHEBI:135977) has part dodeclonium (CHEBI:166833) dodeclonium bromide (CHEBI:135977) has role antiseptic drug (CHEBI:48218) dodeclonium bromide (CHEBI:135977) is a organic bromide salt (CHEBI:48369)

IUPAC Name

N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminium bromide

Synonyms	Sources
(2-(p-chlorophenoxy)ethyl)dodecyldimethylammonium bromide	ChemIDplus
[2-(4-chlorophenoxy)ethyl](dodecyl)dimethylazanium bromide	ChEBI
GR 412	ChemIDplus
GR-412	ChEBI

Registry Number	Type	Source
15687-13-5	CAS Registry Number	ChemIDplus

Citation	Type	Source
22742642	PubMed citation	Europe PMC

Last Modified

12 November 2020