CHEBI:90402 - primuline (acid form)

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ChEBI Name primuline (acid form)
ChEBI ID CHEBI:90402
Definition A 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'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H15N3O3S3
Net Charge 0
Average Mass 453.561
Monoisotopic Mass 453.02755
InChI InChI=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)
InChIKey CTPFWVHDVOKBSN-UHFFFAOYSA-N
SMILES C1(C2=NC3=C(S2)C(=C(C=C3)C)S(O)(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-(4-Aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonic acid ChemIDplus
primuline free acid ChEBI
Registry Numbers Types Sources
1054662 Reaxys Registry Number Reaxys
5855-97-0 CAS Registry Number ChemIDplus
Last Modified
17 November 2015