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CHEBI:51502 - cryptocyanin

Default Structure
ChEBI IDCHEBI:51502
ChEBI Namecryptocyanin
Stars
Last Modified23 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC25H25N2.I
Net Charge0
Average Mass480.393
Monoisotopic Mass480.10625
SMILES[H]C(C([H])=C([H])c1cc[n+](CC)c2ccccc12)=C1C=CN(CC)c2ccccc21.[I-]
InChIInChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyCEJANLKHJMMNQB-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
cryptocyanin (CHEBI:51502) has part cryptocyanin cation (CHEBI:52786)
cryptocyanin (CHEBI:51502) has role fluorochrome (CHEBI:51217)
cryptocyanin (CHEBI:51502) is a organic iodide salt (CHEBI:50356)
cryptocyanin (CHEBI:51502) is a quinolines (CHEBI:26513)
IUPAC Name 
1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide
Synonyms  Source
1,1'-Diethyl-4,4'-carbocyanine iodideChemIDplus
1,1'-Diethyl-4,4'-quinocarbocyanine iodideChemIDplus
1,1'-Diethylquino-(4)-carbocyanine iodideChemIDplus
CryptocyanineChEBI
Cryptocyanine iodideChemIDplus
KryptocyaninChemIDplus
Registry NumbersSources
Beilstein:4116840Beilstein
CAS:4727-50-8NIST Chemistry WebBook
CAS:4727-50-8ChemIDplus