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CHEBI:90402 - primuline (acid form)

Default Structure
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:
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 (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
2-(4-Aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonic acidChemIDplus
primuline free acidChEBI
Registry NumbersSources
Reaxys:1054662Reaxys
CAS:5855-97-0ChemIDplus