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CHEBI:189531 - ICR 340

Default Structure
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:
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.
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.
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
N1-(2-chloroethyl)-N3-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N1-ethylpropane-1,3-diamine—hydrogen chloride (1/2)IUPAC
ICR-340ChEBI
ICR 340 dihydrochlorideChEBI
ICR-340 dihydrochlorideChEBI
Manual XrefsDatabases
4514643ChemSpider
Registry NumbersSources
CAS:38915-28-5ChemIDplus
Citations