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CHEBI:52080 - fura red

ChEBI IDCHEBI:52080
ChEBI Namefura red
Stars
DefinitionA 1-benzofuran substituted at position 2 by a (5-oxo-2-thioxoimidazolidin-4-ylidene)methyl group, and at C-5 and C-6 by heavily substituted oxygen and nitrogen functionalities respectively.
Last Modified27 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC41H44N4O20S
Net Charge0
Average Mass944.878
Monoisotopic Mass944.22696
SMILES[H]C(=C1NC(=S)NC1=O)c1cc2cc(OCCOc3cc(C)ccc3N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc2o1
InChIInChI=1S/C41H44N4O20S/c1-23-6-7-31(44(15-36(50)61-19-57-24(2)46)16-37(51)62-20-58-25(3)47)34(10-23)55-8-9-56-35-12-28-11-29(13-30-40(54)43-41(66)42-30)65-33(28)14-32(35)45(17-38(52)63-21-59-26(4)48)18-39(53)64-22-60-27(5)49/h6-7,10-14H,8-9,15-22H2,1-5H3,(H2,42,43,54,66)
InChIKeyMCEXQZRGUKALLT-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
fura red (CHEBI:52080) has role fluorochrome (CHEBI:51217)
fura red (CHEBI:52080) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(acetyloxy)methyl [{2-[(acetyloxy)methoxy]-2-oxoethyl}(5-{2-[2-(bis{2-[(acetyloxy)methoxy]-2-oxoethyl}amino)-5-methylphenoxy]ethoxy}-2-[(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-1-benzofuran-6-yl)amino]acetate
Registry NumbersSources
CAS:149732-62-7ChemIDplus