CHEBI:51957 - DY-652

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ChEBI Name DY-652
ChEBI ID CHEBI:51957
Definition An organic disodium salt having 2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H50N2Na2O12S3
Net Charge 0
Average Mass 905.01600
Monoisotopic Mass 904.23213
InChI InChI=1S/C41H52N2O12S3.2Na/c1-27-26-40(5,6)43(19-11-21-57(49,50)51)34-25-35-31(24-30(27)34)28(22-37(55-35)39(2,3)4)12-8-13-36-41(7,17-9-14-38(44)45)32-23-29(58(52,53)54)15-16-33(32)42(36)18-10-20-56(46,47)48;;/h8,12-13,15-16,22-26H,9-11,14,17-21H2,1-7H3,(H3-,44,45,46,47,48,49,50,51,52,53,54);;/q;2*+1/p-2
InChIKey ZTDAPASWUWUEOE-UHFFFAOYSA-L
SMILES [Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(C)c3cc12)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing DY-652 (CHEBI:51957) has part DY-652(2−) (CHEBI:63293)
DY-652 (CHEBI:51957) has role fluorochrome (CHEBI:51217)
DY-652 (CHEBI:51957) is a organic sodium salt (CHEBI:38700)
IUPAC Name
disodium 2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Last Modified
28 November 2011