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CHEBI:21183 - ICR-170

ChEBI IDCHEBI:21183
ChEBI NameICR-170
Stars
Last Modified20 August 2007
DownloadsMolfile
FormulaC21H25Cl2N3O.2HCl
Net Charge0
Average Mass479.279
Monoisotopic Mass477.09082
SMILESCCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.[H]Cl.[H]Cl
InChIInChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H
InChIKeyPWGOWIIEVDAYTC-UHFFFAOYSA-N
Roles Classification
Biological Role:
intercalator  A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
ChEBI Ontology
Outgoing Relation(s)
ICR-170 (CHEBI:21183) has part N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine (CHEBI:37594)
ICR-170 (CHEBI:21183) has role intercalator (CHEBI:24853)
ICR-170 (CHEBI:21183) is a acridines (CHEBI:22213)
IUPAC Name 
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride
Synonyms  Source
ICR 170ChemIDplus
N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochlorideChemIDplus
acridine mustardChemIDplus
Registry NumbersSources
CAS:146-59-8ChemIDplus