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CHEBI:51986 - DY-776

ChEBI IDCHEBI:51986
ChEBI NameDY-776
Stars
DefinitionAn organic monosodium salt that has 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion.
Last Modified30 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC44H47N2O9S2.Na
Net Charge0
Average Mass834.989
Monoisotopic Mass834.26207
SMILES[H]C(=C([H])C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)C([H])=C([H])c1cc(-c2ccccc2)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC.[Na+]
InChIInChI=1S/C44H48N2O9S2.Na/c1-6-46-38-28-40-35(27-34(38)30(2)29-43(46,3)4)32(25-39(55-40)31-15-9-7-10-16-31)17-11-8-12-18-41-44(5,22-13-19-42(47)48)36-26-33(57(52,53)54)20-21-37(36)45(41)23-14-24-56(49,50)51;/h7-12,15-18,20-21,25-29H,6,13-14,19,22-24H2,1-5H3,(H2-,47,48,49,50,51,52,53,54);/q;+1/p-1
InChIKeyNBRJKWNYFLEEOQ-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-776 (CHEBI:51986) has part DY-776(1−) (CHEBI:52835)
DY-776 (CHEBI:51986) has role fluorochrome (CHEBI:51217)
DY-776 (CHEBI:51986) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Registry NumbersSources
Reaxys:19570575Reaxys