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CHEBI:132980 - acridine half-mustard

ChEBI IDCHEBI:132980
ChEBI Nameacridine half-mustard
Stars
DefinitionA member of the class of aminoacridines that is acridine which is substituted by a methoxy group at position 2, chlorine at position 6, and a {3-[(2-chloroethyl)amino]propyl}amino group at position 9.
Last Modified11 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H21Cl2N3O
Net Charge0
Average Mass378.303
Monoisotopic Mass377.10617
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1
InChIInChI=1S/C19H21Cl2N3O/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24)
InChIKeyOAPNFEMIOBGOHM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
acridine half-mustard (CHEBI:132980) has role mutagen (CHEBI:25435)
acridine half-mustard (CHEBI:132980) is a aminoacridines (CHEBI:51803)
acridine half-mustard (CHEBI:132980) is a aromatic ether (CHEBI:35618)
acridine half-mustard (CHEBI:132980) is a organochlorine compound (CHEBI:36683)
acridine half-mustard (CHEBI:132980) is a secondary amino compound (CHEBI:50995)
acridine half-mustard (CHEBI:132980) is conjugate base of acridine half-mustard(2+) (CHEBI:132981)
Incoming Relation(s)
acridine half-mustard(2+) (CHEBI:132981) is conjugate acid of acridine half-mustard (CHEBI:132980)
IUPAC Name 
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine
Synonyms  Source
N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamineChemIDplus
ICR 191ChemIDplus
ICR-191ChEBI
6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridineChEBI
Registry NumbersSources
Reaxys:444928Reaxys
CAS:17070-44-9ChemIDplus
Citations