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CHEBI:78897 - trypan blue

ChEBI IDCHEBI:78897
ChEBI Nametrypan blue
Stars
DefinitionAn organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).
Last Modified11 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H24N6O14S4.4Na
Net Charge0
Average Mass960.822
Monoisotopic Mass959.98241
SMILESCc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
InChIKeyGLNADSQYFUSGOU-GPTZEZBUSA-J
Wikipedia
Roles Classification
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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)
trypan blue (CHEBI:78897) has part trypan blue(4−) (CHEBI:78899)
trypan blue (CHEBI:78897) has role carcinogenic agent (CHEBI:50903)
trypan blue (CHEBI:78897) has role fluorochrome (CHEBI:51217)
trypan blue (CHEBI:78897) has role histological dye (CHEBI:77178)
trypan blue (CHEBI:78897) is a organic sodium salt (CHEBI:38700)
trypan blue (CHEBI:78897) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)
Synonyms  Source
Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonateChemIDplus
Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonateChemIDplus
Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulphonateChemIDplus
C.I. 23850ChEBI
Niagara blue 3BChEBI
direct blue 14ChEBI
Manual XrefsDatabases
C19307KEGG COMPOUND
Trypan_blueWikipedia
Registry NumbersSources
Reaxys:4360496Reaxys
CAS:72-57-1KEGG COMPOUND
CAS:72-57-1ChemIDplus
Citations