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CHEBI:52100 - LDS 751 dye

ChEBI IDCHEBI:52100
ChEBI NameLDS 751 dye
Stars
Last Modified29 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC25H30N3.ClO4
Net Charge0
Average Mass471.985
Monoisotopic Mass471.19248
SMILESO=Cl(=O)(=O)[O-].[H]C(=Cc1ccc(N(C)C)cc1)C=C([H])c1ccc2cc(N(C)C)ccc2[n+]1CC
InChIInChI=1S/C25H30N3.ClHO4/c1-6-28-23(16-13-21-19-24(27(4)5)17-18-25(21)28)10-8-7-9-20-11-14-22(15-12-20)26(2)3;2-1(3,4)5/h7-19H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyFGBAVQUHSKYMTC-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
LDS 751 dye (CHEBI:52100) has part LDS 751(1+) (CHEBI:52865)
LDS 751 dye (CHEBI:52100) has role fluorochrome (CHEBI:51217)
LDS 751 dye (CHEBI:52100) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name 
6-(dimethylamino)-2-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-ethylquinolinium perchlorate
Synonym  Source
Quinolinium, 6-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-1,3-butadienyl]-1-ethyl, perchlorateChEBI