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CHEBI:31466 - dequalinium chloride

ChEBI IDCHEBI:31466
ChEBI Namedequalinium chloride
Stars
DefinitionAn organic chloride salt that is the dichloride salt of dequalinium.
Last Modified17 April 2014
DownloadsMolfile
FormulaC30H40N4.2Cl
Net Charge0
Average Mass527.584
Monoisotopic Mass526.26300
SMILESCc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]
InChIInChI=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
InChIKeyLTNZEXKYNRNOGT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
dequalinium chlorideKEGG DRUG
cloruro de decalinioChemIDplus
dequalinii chloridumChemIDplus
chlorure de dequaliniumChemIDplus
Synonyms  Source
dequalinium dichlorideChEBI
1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) dichlorideChemIDplus
1,1'-Decamethylenebis(4-aminoquinaldinium chloride)ChemIDplus
Decamethylenebis(4-aminoquinaldinium chloride)ChemIDplus
Manual XrefsDatabases
D01575KEGG DRUG
DequaliniumWikipedia
US2011015673Patent
Registry NumbersSources
Reaxys:5900124Reaxys
CAS:522-51-0KEGG DRUG
CAS:522-51-0ChemIDplus
Citations