CHEBI:166833 - dodeclonium

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ChEBI Name dodeclonium
ChEBI ID CHEBI:166833
Definition An aromatic ether that is 4-chlorophenol in which the hydroxy group is replaced by a 2-[dodecyl(dimethyl)azaniumyl]ethoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H39ClNO
Net Charge +1
Average Mass 369.010
Monoisotopic Mass 368.27147
InChI InChI=1S/C22H39ClNO/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/q+1
InChIKey DIQMZVPLKDZWFT-UHFFFAOYSA-N
SMILES 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).
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ChEBI Ontology
Outgoing dodeclonium (CHEBI:166833) has role antiseptic drug (CHEBI:48218)
dodeclonium (CHEBI:166833) is a aromatic ether (CHEBI:35618)
dodeclonium (CHEBI:166833) is a monochlorobenzenes (CHEBI:83403)
dodeclonium (CHEBI:166833) is a quaternary ammonium ion (CHEBI:35267)
Incoming dodeclonium bromide (CHEBI:135977) has part dodeclonium (CHEBI:166833)
IUPAC Name
N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminium
Synonyms Sources
dodeclonium cation ChemIDplus
dodeclonium ion ChemIDplus
N-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyl-1-dodecanaminium ChemIDplus
Registry Number Type Source
123247-90-5 CAS Registry Number ChemIDplus
Last Modified
12 November 2020