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CHEBI:189531 - ICR 340

ChEBI IDCHEBI:189531
ChEBI NameICR 340
Stars
DefinitionThe dihydrochloride salt of ICR 340.
Last Modified26 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC20H24Cl2N4O.2HCl
Net Charge0
Average Mass480.267
Monoisotopic Mass478.08607
SMILESCCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12.Cl.Cl
InChIInChI=1S/C20H24Cl2N4O.2ClH/c1-3-26(12-9-21)11-4-10-23-19-15-6-5-14(22)13-17(15)24-16-7-8-18(27-2)25-20(16)19;;/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,24);2*1H
InChIKeyPUURHJFGPZZDJF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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)
ICR 340 (CHEBI:189531) has part ICR 340(2+) (CHEBI:189545)
ICR 340 (CHEBI:189531) has role carcinogenic agent (CHEBI:50903)
ICR 340 (CHEBI:189531) has role mutagen (CHEBI:25435)
ICR 340 (CHEBI:189531) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N-ethylpropane-1,3-diamine dihydrochloride
Synonyms  Source
ICR-340ChEBI
ICR 340 dihydrochlorideChEBI
ICR-340 dihydrochlorideChEBI
N1-(2-chloroethyl)-N3-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N1-ethylpropane-1,3-diamine—hydrogen chloride (1/2)IUPAC
Manual XrefsDatabases
4514643ChemSpider
Registry NumbersSources
CAS:38915-28-5ChemIDplus
Citations