acridine half-mustard (CHEBI:132980)

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ChEBI Name	acridine half-mustard

ChEBI ID	CHEBI:132980

Definition	A member of the class of aminoacridines that is acridine which is substituted by a methoxy group at position 2, chlorine at position 6, and a {3-[(2-chloroethyl)amino]propyl}amino group at position 9.

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

Supplier Information

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Formula

C19H21Cl2N3O

Net Charge

Average Mass

378.296

Monoisotopic Mass

377.10617

InChI

InChI=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)

InChIKey

OAPNFEMIOBGOHM-UHFFFAOYSA-N

SMILES

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

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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 (CHEBI:132980) has role mutagen (CHEBI:25435) acridine half-mustard (CHEBI:132980) is a aminoacridines (CHEBI:51803) acridine half-mustard (CHEBI:132980) is a aromatic ether (CHEBI:35618) acridine half-mustard (CHEBI:132980) is a organochlorine compound (CHEBI:36683) acridine half-mustard (CHEBI:132980) is a secondary amino compound (CHEBI:50995) acridine half-mustard (CHEBI:132980) is conjugate base of acridine half-mustard(2+) (CHEBI:132981)

Incoming	acridine half-mustard(2+) (CHEBI:132981) is conjugate acid of acridine half-mustard (CHEBI:132980)

IUPAC Name

N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine

Synonyms	Sources
6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine	ChEBI
ICR 191	ChemIDplus
ICR-191	ChEBI
N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamine	ChemIDplus

Last Modified

11 August 2016