malachite green cation (CHEBI:44107)

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ChEBI Name	malachite green cation

ChEBI ID	CHEBI:44107

Definition	An iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye.

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

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Formula

C23H25N2

Net Charge

Average Mass

329.45800

Monoisotopic Mass

329.20123

InChI

InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1

InChIKey

VFCNQNZNPKRXIT-UHFFFAOYSA-N

SMILES

CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C

Roles Classification
Biological Role(s):	antibacterial drug A drug used to treat or prevent bacterial infections. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

Application(s):	fluorochrome A fluorescent dye used to stain biological specimens. antibacterial drug A drug used to treat or prevent bacterial infections. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

ChEBI Ontology
Outgoing	malachite green cation (CHEBI:44107) has role antibacterial drug (CHEBI:36047) malachite green cation (CHEBI:44107) has role antifungal drug (CHEBI:86327) malachite green cation (CHEBI:44107) has role fluorochrome (CHEBI:51217) malachite green cation (CHEBI:44107) is a iminium ion (CHEBI:35286)

Incoming	4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation (CHEBI:76213) has functional parent malachite green cation (CHEBI:44107) malachite green (CHEBI:72449) has part malachite green cation (CHEBI:44107)

IUPAC Name

4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium

Synonyms	Sources
malachite green	ChemIDplus
malachite green(1+)	ChEBI
N-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium	PDBeChem

Last Modified

08 July 2015