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CHEBI:37595 - quinacrine mustard

Default Structure
ChEBI IDCHEBI:37595
ChEBI Namequinacrine mustard
Stars
Secondary ChEBI IDCHEBI:47635
Last Modified23 June 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H28Cl3N3O
Net Charge0
Average Mass468.856
Monoisotopic Mass467.12980
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
InChIInChI=1S/C23H28Cl3N3O/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)
InChIKeyUKOBAUFLOGFCMV-UHFFFAOYSA-N
Roles Classification
Biological Role:
alkylating agent  Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
ChEBI Ontology
Outgoing Relation(s)
quinacrine mustard (CHEBI:37595) has functional parent quinacrine (CHEBI:8711)
quinacrine mustard (CHEBI:37595) is a aminoacridines (CHEBI:51803)
quinacrine mustard (CHEBI:37595) is a nitrogen mustard (CHEBI:37598)
Incoming Relation(s)
quinacrine mustard dihydrochloride (CHEBI:21182) has part quinacrine mustard (CHEBI:37595)
IUPAC Name 
N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
Synonym  Source
quinacrine mustardChemIDplus
Registry NumbersSources
Beilstein:56337Beilstein
CAS:64046-79-3ChemIDplus