EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:78897 - trypan blue

Default Structure
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:
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)
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
C.I. 23850ChEBI
C.I. Direct Blue 14ChemIDplus
C.I. Direct Blue 14, tetrasodium saltChemIDplus
direct blue 14ChEBI
Niagara blue 3BChEBI
Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonateChemIDplus
Manual XrefsDatabases
C19307KEGG COMPOUND
Trypan_blueWikipedia
Registry NumbersSources
Reaxys:4360496Reaxys
CAS:72-57-1KEGG COMPOUND
CAS:72-57-1ChemIDplus
Citations