acridine half-mustard dihydrochloride (CHEBI:132982)

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ChEBI Name	acridine half-mustard dihydrochloride

ChEBI ID	CHEBI:132982

Definition	A hydrochloride salt resulting from the reaction of acridine half-mustard with 2 mol eq. of hydrogen chloride.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C19H23Cl4N3O

Net Charge

Average Mass

451.218

Monoisotopic Mass

449.05952

InChI

InChI=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

InChIKey

LMEMIKWTNPWYMI-UHFFFAOYSA-N

SMILES

N1=C2C(=C(C3=C1C=CC(=C3)OC)NCCCNCCCl)C=CC(=C2)Cl.Cl.Cl

Roles Classification
Biological Role(s):	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	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	Sources
2-methoxy-6-chloro-9-(2-chloroethylaminopropylamino)acridine dihydrochloride	ChemIDplus
6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine dihydrochloride	ChEBI
acridine half-mustard.2HCl	ChEBI
acridine mutagen ICR 191	ChEBI
Ames mutagen 191	ChEBI
ICR 191 dihydrochloride	ChEBI
ICR-191 dihydrochloride	ChemIDplus
ICR-191A	ChemIDplus
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-bis(aminium) dichloride	IUPAC

Last Modified

11 August 2016