CHEBI:31466 - dequalinium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dequalinium chloride
ChEBI ID CHEBI:31466
Definition An organic chloride salt that is the dichloride salt of dequalinium.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formulae C30H40Cl2N4
C30H40N4.2Cl
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
InChIKey LTNZEXKYNRNOGT-UHFFFAOYSA-N
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).
View more via ChEBI Ontology
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)
IUPAC Name
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
Database Links Databases
D01575 KEGG DRUG
Dequalinium Wikipedia
US2011015673 Patent
View more database links
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
1156545 PubMed citation Europe PMC
12404886 PubMed citation Europe PMC
13623606 PubMed citation Europe PMC
1818603 PubMed citation Europe PMC
18968413 PubMed citation Europe PMC
21584623 PubMed citation Europe PMC
22113995 PubMed citation Europe PMC
22205034 PubMed citation Europe PMC
22429611 PubMed citation Europe PMC
24579850 PubMed citation Europe PMC
2515858 PubMed citation Europe PMC
3778199 PubMed citation Europe PMC
4836956 PubMed citation Europe PMC
856702 PubMed citation Europe PMC
8929243 PubMed citation Europe PMC
9272987 PubMed citation Europe PMC
Last Modified
17 April 2014