CHEBI:37595 - quinacrine mustard

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quinacrine mustard
ChEBI ID CHEBI:37595
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47635
Supplier Information
Download Molfile XML SDF
Formula C23H28Cl3N3O
Net Charge 0
Average Mass 468.84614
Monoisotopic Mass 467.130
InChI InChI=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)
InChIKey UKOBAUFLOGFCMV-UHFFFAOYSA-N
SMILES COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
Roles Classification
Biological Role(s): 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.
(via nitrogen mustard )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 mustard ChemIDplus
Registry Numbers Types Sources
56337 Beilstein Registry Number Beilstein
64046-79-3 CAS Registry Number ChemIDplus
Last Modified
23 June 2014