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CHEBI:87472 - methyl blue

ChEBI IDCHEBI:87472
ChEBI Namemethyl blue
Stars
DefinitionAn 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.
Last Modified14 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H27N3O9S3.2Na
Net Charge0
Average Mass799.816
Monoisotopic Mass799.07048
SMILESO=S(=O)([O-])c1ccc(Nc2ccc(C(=C3C=CC(=[NH+]c4ccc(S(=O)(=O)[O-])cc4)C=C3)c3ccc(Nc4ccc(S(=O)(=O)[O-])cc4)cc3)cc2)cc1.[Na+].[Na+]
InChIInChI=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
InChIKeyMCPLVIGCWWTHFH-UHFFFAOYSA-L
Roles Classification
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
cotton blueChEBI
C.I. 42780ChEBI
acid blue 93ChEBI
helvetia blueChEBI
C.I. Acid Blue 93ChemIDplus
C.I. Acid Blue 93, disodium saltChemIDplus
Registry NumbersSources
Reaxys:13742372Reaxys
CAS:28983-56-4ChemIDplus
Citations