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CHEBI:132981 - acridine half-mustard(2+)

ChEBI IDCHEBI:132981
ChEBI Nameacridine half-mustard(2+)
Stars
DefinitionAn ammonium ion that is acridine half-mustard in which both of the secondary amino groups have been protonated.
Last Modified11 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H23Cl2N3O
Net Charge+2
Average Mass380.319
Monoisotopic Mass379.12072
SMILESCOc1ccc2nc3cc(Cl)ccc3c([NH2+]CCC[NH2+]CCCl)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)/p+2
InChIKeyOAPNFEMIOBGOHM-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
acridine half-mustard(2+) (CHEBI:132981) is a ammonium ion derivative (CHEBI:35274)
acridine half-mustard(2+) (CHEBI:132981) is conjugate acid of acridine half-mustard (CHEBI:132980)
Incoming Relation(s)
acridine half-mustard dihydrochloride (CHEBI:132982) has part acridine half-mustard(2+) (CHEBI:132981)
acridine half-mustard (CHEBI:132980) is conjugate base of acridine half-mustard(2+) (CHEBI:132981)
IUPAC Name 
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-bis(aminium)
Synonyms  Source
ICR-191(2+)ChEBI
ICR 191(2+)ChEBI
6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine(2+)ChEBI