CHEBI:31466 - dequalinium chloride

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ChEBI Name dequalinium chloride
Definition An organic chloride salt that is the dichloride salt of dequalinium.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C30H40Cl2N4
Net Charge 0
Average Mass 527.57100
Monoisotopic Mass 526.263
InChI InChI=1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H
SMILES [Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
mitochondrial NADH:ubiquinone reductase inhibitor

Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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 dequalinium chloride (CHEBI:31466) has part dequalinium (CHEBI:41872)
dequalinium chloride (CHEBI:31466) has role antifungal agent (CHEBI:35718)
dequalinium chloride (CHEBI:31466) has role antineoplastic agent (CHEBI:35610)
dequalinium chloride (CHEBI:31466) has role antiseptic drug (CHEBI:48218)
dequalinium chloride (CHEBI:31466) has role mitochondrial NADH:ubiquinone reductase inhibitor (CHEBI:38498)
dequalinium chloride (CHEBI:31466) is a organic chloride salt (CHEBI:36094)
1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) dichloride
INNs Sources
chlorure de dequalinium ChemIDplus
cloruro de decalinio ChemIDplus
dequalinii chloridum ChemIDplus
dequalinium chloride KEGG DRUG
Synonyms Sources
1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) dichloride ChemIDplus
1,1'-Decamethylenebis(4-aminoquinaldinium chloride) ChemIDplus
Decamethylenebis(4-aminoquinaldinium chloride) ChemIDplus
dequalinium dichloride ChEBI
Manual Xrefs Databases
Dequalinium Wikipedia
US2011015673 Patent
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Registry Numbers Types Sources
522-51-0 CAS Registry Number KEGG DRUG
522-51-0 CAS Registry Number ChemIDplus
5900124 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
17 April 2014