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CHEBI:90522 - alkali blue 4B

Default Structure
ChEBI IDCHEBI:90522
ChEBI Namealkali blue 4B
Stars
DefinitionAn organic sodium salt having 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate as the counterion. It is used for staining elastic fibres.
Last Modified25 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC32H26N3O3S.Na
Net Charge0
Average Mass555.635
Monoisotopic Mass555.15926
SMILESCc1cc(C(=C2C=CC(=Nc3ccccc3)C=C2)c2ccc(Nc3ccccc3S(=O)(=O)[O-])cc2)ccc1N.[Na+]
InChIInChI=1S/C32H27N3O3S.Na/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38;/h2-21,35H,33H2,1H3,(H,36,37,38);/q;+1/p-1/b32-23-,34-27+;
InChIKeyAOADSHDCARXSGL-ZMIIQOOPSA-M
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)
alkali blue 4B (CHEBI:90522) has part 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate (CHEBI:90534)
alkali blue 4B (CHEBI:90522) has role fluorochrome (CHEBI:51217)
alkali blue 4B (CHEBI:90522) has role histological dye (CHEBI:77178)
alkali blue 4B (CHEBI:90522) is a organic sodium salt (CHEBI:38700)
alkali blue 4B (CHEBI:90522) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
sodium 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate
Synonyms  Source
acid blue 110ChEBI
alkali blueChEBI
C.I. 42750ChEBI
Sodium ((4-((4-amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonateChemIDplus
Registry NumbersSources
CAS:62152-67-4ChemIDplus