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CHEBI:132982 - acridine half-mustard dihydrochloride

ChEBI IDCHEBI:132982
ChEBI Nameacridine half-mustard dihydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of acridine half-mustard with 2 mol eq. of hydrogen chloride.
Last Modified11 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H21Cl2N3O.2HCl
Net Charge0
Average Mass451.225
Monoisotopic Mass449.05952
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1.Cl.Cl
InChIInChI=1S/C19H21Cl2N3O.2ClH/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);2*1H
InChIKeyLMEMIKWTNPWYMI-UHFFFAOYSA-N
Roles Classification
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 dihydrochloride (CHEBI:132982) has part acridine half-mustard(2+) (CHEBI:132981)
acridine half-mustard dihydrochloride (CHEBI:132982) has role mutagen (CHEBI:25435)
acridine half-mustard dihydrochloride (CHEBI:132982) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine dihydrochloride
Synonyms  Source
ICR-191 dihydrochlorideChemIDplus
acridine half-mustard.2HClChEBI
ICR 191 dihydrochlorideChEBI
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-bis(aminium) dichlorideIUPAC
ICR-191AChemIDplus
2-methoxy-6-chloro-9-(2-chloroethylaminopropylamino)acridine dihydrochlorideChemIDplus
Registry NumbersSources
Reaxys:8176205Reaxys
CAS:17070-45-0ChemIDplus