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CHEBI:90402 - primuline (acid form)

ChEBI IDCHEBI:90402
ChEBI Nameprimuline (acid form)
Stars
DefinitionA member of the class of benzothiazoles that is 2,6'-bi-1,3-benzothiazole substituted at positions 2' 6 and 7 by 4-aminophenyl, methyl and sulfo groups respectively. The monosodium salt is the biological dye 'primuline'.
Last Modified17 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H15N3O3S3
Net Charge0
Average Mass453.570
Monoisotopic Mass453.02755
SMILESCc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)O
InChIInChI=1S/C21H15N3O3S3/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)
InChIKeyCTPFWVHDVOKBSN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
primuline (acid form) (CHEBI:90402) has role fluorochrome (CHEBI:51217)
primuline (acid form) (CHEBI:90402) has role histological dye (CHEBI:77178)
primuline (acid form) (CHEBI:90402) is a arenesulfonic acid (CHEBI:33555)
primuline (acid form) (CHEBI:90402) is a benzothiazoles (CHEBI:37947)
primuline (acid form) (CHEBI:90402) is a ring assembly (CHEBI:36820)
primuline (acid form) (CHEBI:90402) is a substituted aniline (CHEBI:48975)
primuline (acid form) (CHEBI:90402) is conjugate acid of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403)
Incoming Relation(s)
2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403) is conjugate base of primuline (acid form) (CHEBI:90402)
IUPAC Name 
2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid
Synonyms  Source
primuline free acidChEBI
2-(4-Aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonic acidChemIDplus
Registry NumbersSources
Reaxys:1054662Reaxys
CAS:5855-97-0ChemIDplus