EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90399 - primuline

Default Structure
ChEBI IDCHEBI:90399
ChEBI Nameprimuline
Stars
DefinitionAn organic sodium salt having 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate as the counterion.
Last Modified17 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H14N3O3S3.Na
Net Charge0
Average Mass475.552
Monoisotopic Mass475.00950
SMILESCc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyRSRNHSYYBLEMOI-UHFFFAOYSA-M
Wikipedia
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)
primuline (CHEBI:90399) has part 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403)
primuline (CHEBI:90399) has role fluorochrome (CHEBI:51217)
primuline (CHEBI:90399) has role histological dye (CHEBI:77178)
primuline (CHEBI:90399) is a organic sodium salt (CHEBI:38700)
primuline (CHEBI:90399) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
sodium 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate
Synonyms  Source
C.I. 49000ChEBI
C.I. Direct Yellow 59, monosodium saltChemIDplus
direct yellow 59ChEBI
NSC 143368ChemIDplus
NSC143368ChemIDplus
Sodium 2'-(4-aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonateChemIDplus
Manual XrefsDatabases
PrimulineWikipedia
Registry NumbersSources
Reaxys:23566367Reaxys
CAS:10360-31-3ChemIDplus
Citations