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CHEBI:88205 - Hoffman's violet

Default Structure
ChEBI IDCHEBI:88205
ChEBI NameHoffman's violet
Stars
DefinitionA hydrochloride obtained by combining Hoffman's violet free base with one molar equivalent of hydrogen chloride. A specific stain for animal chromosomes.
Last Modified13 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H31N3.HCl
Net Charge0
Average Mass422.016
Monoisotopic Mass421.22848
SMILESCCN=C1C=CC(=C(c2ccc(NCC)cc2)c2ccc(NCC)c(C)c2)C=C1.Cl
InChIInChI=1S/C26H31N3.ClH/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22;/h8-18,27,29H,5-7H2,1-4H3;1H/b26-21-,28-24+;
InChIKeyOKNJKIKBMQYONP-ZTFPKQFBSA-N
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)
Hoffman's violet (CHEBI:88205) has role fluorochrome (CHEBI:51217)
Hoffman's violet (CHEBI:88205) has role histological dye (CHEBI:77178)
Hoffman's violet (CHEBI:88205) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-ethyl-4-{[4-(ethylamino)phenyl][4-(ethylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-2-methylaniline hydrochloride
Synonyms  Source
C.I. 42530ChEBI
Hofman's VioletChemIDplus
Registry NumbersSources
CAS:8004-86-2ChemIDplus
Citations