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CHEBI:87472 - methyl blue
| Formula | C37H27N3O9S3.2Na |
| Net Charge | 0 |
| Average Mass | 799.816 |
| Monoisotopic Mass | 799.07048 |
| SMILES | O=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+] |
| 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 |
| 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) |
| 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 |
|---|---|
| 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 | Sources |
|---|---|
| Reaxys:13742372 | Reaxys |
| CAS:28983-56-4 | ChemIDplus |
| Citations |
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