CHEBI:21182 - quinacrine mustard dihydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quinacrine mustard dihydrochloride
ChEBI ID CHEBI:21182
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H30Cl5N3O
Net Charge 0
Average Mass 541.76742
Monoisotopic Mass 539.08315
InChI InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H
InChIKey JETDZFFCRPFPDH-UHFFFAOYSA-N
SMILES [H+].[H+].[Cl-].[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
Roles Classification
Biological Role(s): intercalator
A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quinacrine mustard dihydrochloride (CHEBI:21182) has part quinacrine mustard (CHEBI:37595)
quinacrine mustard dihydrochloride (CHEBI:21182) has role intercalator (CHEBI:24853)
quinacrine mustard dihydrochloride (CHEBI:21182) is a hydrochloride (CHEBI:36807)
IUPAC Name
N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine dihydrochloride
Synonyms Sources
ICR 10 ChemIDplus
mepacrine mustard dihydrochloride ChemIDplus
quinacrine mustard dihydrochloride ChemIDplus
Registry Numbers Types Sources
3819822 Beilstein Registry Number Beilstein
4213-45-0 CAS Registry Number ChemIDplus
Last Modified
05 February 2009