CHEBI:167207 - benzododecinium bromide

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ChEBI Name benzododecinium bromide
ChEBI ID CHEBI:167207
Definition The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H38N.Br
Net Charge 0
Average Mass 384.446
Monoisotopic Mass 383.21876
InChI InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChIKey KHSLHYAUZSPBIU-UHFFFAOYSA-M
SMILES [Br-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
Roles Classification
Chemical Role(s): surfactant
A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
Biological Role(s): disinfectant
An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
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).
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ChEBI Ontology
Outgoing benzododecinium bromide (CHEBI:167207) has part benzododecinium (CHEBI:135611)
benzododecinium bromide (CHEBI:167207) has role antiseptic drug (CHEBI:48218)
benzododecinium bromide (CHEBI:167207) has role disinfectant (CHEBI:48219)
benzododecinium bromide (CHEBI:167207) has role surfactant (CHEBI:35195)
benzododecinium bromide (CHEBI:167207) is a organic bromide salt (CHEBI:48369)
benzododecinium bromide (CHEBI:167207) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name
N-benzyl-N,N-dimethyldodecan-1-aminium bromide
Synonyms Sources
benzyldimethyldodecylammonium bromide ChemIDplus
benzyldodecyldimethylammonium bromide NIST Chemistry WebBook
dimethyl laurylbenzene ammonium bromide ChemIDplus
dimethyldodecylbenzylammonium bromide ChemIDplus
dodecyl dimethyl benzyl ammonium bromide ChemIDplus
N-dodecyl-N,N-dimethylbenzenemethanaminium bromide ChemIDplus
Brand Names Sources
Ajatin ChEBI
Bacfor BL ChemIDplus
Sinnoquat BL 95 ChemIDplus
Sterinol ChemIDplus
Manual Xrefs Databases
22165 ChemSpider
Benzododecinium_bromide Wikipedia
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Registry Numbers Types Sources
3579193 Reaxys Registry Number Reaxys
7281-04-1 CAS Registry Number ChemIDplus
7281-04-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
15028484 PubMed citation Europe PMC
15250425 PubMed citation Europe PMC
18653213 PubMed citation Europe PMC
19013584 PubMed citation Europe PMC
1909133 PubMed citation Europe PMC
19095241 PubMed citation Europe PMC
20550489 PubMed citation Europe PMC
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7762946 PubMed citation Europe PMC
Last Modified
20 January 2021