EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135886 - bisdequalinium chloride

ChEBI IDCHEBI:135886
ChEBI Namebisdequalinium chloride
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC40H58N4
Net Charge+2
Average Mass594.932
Monoisotopic Mass594.46505
SMILESCc1cc2c3ccccc3[n+]1CCCCCCCCCC[n+]1c(C)cc(c3ccccc31)NCCCCCCCCCCN2
InChIInChI=1S/C40H56N4/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3/p+2/b41-37+,42-38+
InChIKeyZFWYZPJOMMIRAM-WWUXXHOVSA-P
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
bisdequalinium chloride (CHEBI:135886) is a aminoquinoline (CHEBI:36709)
Synonym  Source
bisdiqualinium chlorideDrugCentral
Manual XrefsDatabases
3030DrugCentral
Registry NumbersSources
CAS:52951-36-7DrugCentral