CHEBI:87472 - methyl blue

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ChEBI Name methyl blue
ChEBI ID CHEBI:87472
Definition An organic sodium salt that is the trisodium salt of 4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid). A histological dye that can be used either on its own or part of a mixture (aniline blue WS) for staining collagen in Masson's trichrome and Mallory's method for connective tissue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H27N3Na2O9S3
Net Charge 0
Average Mass 799.80000
Monoisotopic Mass 799.070
InChI InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChIKey MCPLVIGCWWTHFH-UHFFFAOYSA-L
SMILES [Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=[NH+]c2ccc(cc2)S([O-])(=O)=O)c2ccc(Nc3ccc(cc3)S([O-])(=O)=O)cc2)cc1
Roles Classification
Application(s): 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.
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl blue (CHEBI:87472) has part methyl blue(2−) (CHEBI:87478)
methyl blue (CHEBI:87472) has role fluorochrome (CHEBI:51217)
methyl blue (CHEBI:87472) has role histological dye (CHEBI:77178)
methyl blue (CHEBI:87472) is a organic sodium salt (CHEBI:38700)
Incoming aniline blue WS (CHEBI:87471) has part methyl blue (CHEBI:87472)
IUPAC Name
disodium 4,4'-{({4-[(4-sulfonatophenyl)iminio]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonate)
Synonyms Sources
acid blue 93 ChEBI
C.I. 42780 ChEBI
C.I. Acid Blue 93 ChemIDplus
C.I. Acid Blue 93, disodium salt ChemIDplus
cotton blue ChEBI
helvetia blue ChEBI
Registry Numbers Types Sources
13742372 Reaxys Registry Number Reaxys
28983-56-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25464316 PubMed citation Europe PMC
25527986 PubMed citation Europe PMC
26230736 PubMed citation Europe PMC
Last Modified
14 August 2015