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CHEBI:90110 - Methyl violet 2B free base

ChEBI IDCHEBI:90110
ChEBI NameMethyl violet 2B free base
Stars
DefinitionAn imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-(dimethylamino)phenyl groups. The hydrochloride salt is the histological dye 'Methyl violet 2B'.
Last Modified27 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H25N3
Net Charge0
Average Mass343.474
Monoisotopic Mass343.20485
SMILESCN(C)c1ccc(C(=C2C=CC(=N)C=C2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H25N3/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4/h5-16,24H,1-4H3
InChIKeyXYSSGYHHAUSTHC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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)
Methyl violet 2B free base (CHEBI:90110) has role antineoplastic agent (CHEBI:35610)
Methyl violet 2B free base (CHEBI:90110) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
Methyl violet 2B free base (CHEBI:90110) has role fluorochrome (CHEBI:51217)
Methyl violet 2B free base (CHEBI:90110) has role histological dye (CHEBI:77178)
Methyl violet 2B free base (CHEBI:90110) is a imine (CHEBI:24783)
Methyl violet 2B free base (CHEBI:90110) is a substituted aniline (CHEBI:48975)
Methyl violet 2B free base (CHEBI:90110) is a tertiary amino compound (CHEBI:50996)
Methyl violet 2B free base (CHEBI:90110) is conjugate base of Methyl violet 2B(1+) (CHEBI:90111)
Incoming Relation(s)
Methyl violet 2B(1+) (CHEBI:90111) is conjugate acid of Methyl violet 2B free base (CHEBI:90110)
IUPAC Name 
4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(N,N-dimethylaniline)
Synonym  Source
N,N,N',N'-TetramethylpararosanilineChemIDplus
Registry NumbersSources
Reaxys:20341768Reaxys
CAS:133502-50-8ChemIDplus