CHEBI:51977 - DY-701

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ChEBI Name DY-701
ChEBI ID CHEBI:51977
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C39H43N2NaO9S2
Net Charge 0
Average Mass 770.88600
Monoisotopic Mass 770.23077
InChI InChI=1S/C39H44N2O9S2.Na/c1-5-40(6-2)29-18-20-31-35(25-29)50-34(27(3)38(31)28-13-8-7-9-14-28)15-10-16-36-39(4,22-11-17-37(42)43)32-26-30(52(47,48)49)19-21-33(32)41(36)23-12-24-51(44,45)46;/h7-10,13-16,18-21,25-26H,5-6,11-12,17,22-24H2,1-4H3,(H2-,42,43,44,45,46,47,48,49);/q;+1/p-1
InChIKey CCVDGRFGYDJCNB-UHFFFAOYSA-M
SMILES [Na+].[H]C(=C([H])c1[o+]c2cc(ccc2c(-c2ccccc2)c1C)N(CC)CC)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-701 (CHEBI:51977) has part DY-701(1−) (CHEBI:52830)
DY-701 (CHEBI:51977) has role fluorochrome (CHEBI:51217)
DY-701 (CHEBI:51977) is a organic sodium salt (CHEBI:38700)
IUPAC Names
sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate
sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenylchromenium-2-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Last Modified
28 November 2011