EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:21182 - quinacrine mustard dihydrochloride

ChEBI IDCHEBI:21182
ChEBI Namequinacrine mustard dihydrochloride
Stars
Last Modified5 February 2009
DownloadsMolfile
Formula2H.C23H28Cl3N3O.2Cl
Net Charge0
Average Mass541.778
Monoisotopic Mass539.08315
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=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
InChIKeyJETDZFFCRPFPDH-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
quinacrine mustard dihydrochlorideChemIDplus
ICR 10ChemIDplus
mepacrine mustard dihydrochlorideChemIDplus
Registry NumbersSources
Beilstein:3819822Beilstein
CAS:4213-45-0ChemIDplus