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CHEBI:90179 - iodine green

Default Structure
ChEBI IDCHEBI:90179
ChEBI Nameiodine green
Stars
DefinitionAn iminium salt composed of (4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium and chloride ions in a 1:2 ratio. A histological dye used for staining chromatin and amyloid.
Last Modified3 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H35N3.2Cl
Net Charge0
Average Mass472.504
Monoisotopic Mass471.22080
SMILESCc1cc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)ccc1N(C)C.[Cl-].[Cl-]
InChIInChI=1S/C27H35N3.2ClH/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8;;/h9-19H,1-8H3;2*1H/q+2;;/p-2
InChIKeyFRCAGVUKJQCWBD-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
iodine green (CHEBI:90179) has part iodine green(2+) (CHEBI:90181)
iodine green (CHEBI:90179) has role fluorochrome (CHEBI:51217)
iodine green (CHEBI:90179) has role histological dye (CHEBI:77178)
iodine green (CHEBI:90179) is a iminium salt (CHEBI:35277)
iodine green (CHEBI:90179) is a organic chloride salt (CHEBI:36094)
iodine green (CHEBI:90179) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
(4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium dichloride
Synonym  Source
C.I. 42556ChEBI
Registry NumbersSources
CAS:33231-00-4ChemIDplus
Citations