CHEBI:135886 - bisdequalinium chloride

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ChEBI Name bisdequalinium chloride
ChEBI ID CHEBI:135886
Stars This entity has been manually annotated by a third party.
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Formula C40H58N4
Net Charge +2
Average Mass 594.917
Monoisotopic Mass 594.46505
InChI InChI=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+
InChIKey ZFWYZPJOMMIRAM-WWUXXHOVSA-P
SMILES CC1=[N+]2C3=C(C(=C1)NCCCCCCCCCCNC=4C=5C([N+](CCCCCCCCCC2)=C(C)C4)=CC=CC5)C=CC=C3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing bisdequalinium chloride (CHEBI:135886) is a aminoquinoline (CHEBI:36709)
Synonym Source
bisdiqualinium chloride DrugCentral
Manual Xref Database
3030 DrugCentral
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Registry Number Type Source
52951-36-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017