CHEBI:52262 - sodium-binding benzofuran isophthalate

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ChEBI Name sodium-binding benzofuran isophthalate ChEBI ID CHEBI:52262 Definition A crown compound that is 1,4,10-trioxa-7,13-diazacyclopentadecane in which the hydrogens of the amino groups at position 7 and 13 are replaced by 2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl groups. It is a cell-impermeant fluorescent sodium indicator. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H42N2O15 Net Charge 0 Average Mass 838.80870 Monoisotopic Mass 838.25852 InChI InChI=1S/C44H42N2O15/c1-55-39-21-27-19-37(29-5-3-25(41(47)48)17-31(29)43(51)52)60-35(27)23-33(39)45-7-11-57-12-8-46(10-14-59-16-15-58-13-9-45)34-24-36-28(22-40(34)56-2)20-38(61-36)30-6-4-26(42(49)50)18-32(30)44(53)54/h3-6,17-24H,7-16H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54) InChIKey UGJCNRLBGKEGEH-UHFFFAOYSA-N SMILES COc1cc2cc(oc2cc1N1CCOCCOCCN(CCOCC1)c1cc2oc(cc2cc1OC)-c1ccc(cc1C(O)=O)C(O)=O)-c1ccc(cc1C(O)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Application(s): fluorochrome A fluorescent dye used to stain biological specimens. View more via ChEBI Ontology ChEBI Ontology Outgoing sodium-binding benzofuran isophthalate (CHEBI:52262) has role fluorochrome (CHEBI:51217) sodium-binding benzofuran isophthalate (CHEBI:52262) is a 1-benzofurans (CHEBI:38830) sodium-binding benzofuran isophthalate (CHEBI:52262) is a aromatic ether (CHEBI:35618) sodium-binding benzofuran isophthalate (CHEBI:52262) is a crown compound (CHEBI:37409) sodium-binding benzofuran isophthalate (CHEBI:52262) is a tetracarboxylic acid (CHEBI:35742) IUPAC Name 4,4'-{1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis[5-(methyloxy)-1-benzofuran-6,2-diyl]}dibenzene-1,3-dicarboxylic acid Synonyms Sources 4,4'-[1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-1-benzofuran-6,2-diyl)]diisophthalic acid ChEBI SBFI ChemIDplus Sodium benzofuran isophthalate ChemIDplus Manual Xref Database 110415 ChemSpider View more database links Registry Number Type Source 124549-08-2 CAS Registry Number ChemIDplus Citations Types Sources 10790305 PubMed citation Europe PMC 16488020 PubMed citation Europe PMC 1816386 PubMed citation Europe PMC 2018505 PubMed citation Europe PMC 2174043 PubMed citation Europe PMC 23118361 PubMed citation Europe PMC 24369990 PubMed citation Europe PMC 28174043 PubMed citation Europe PMC 33135077 PubMed citation Europe PMC 9262139 PubMed citation Europe PMC IND43878344 Agricola citation Europe PMC Last Modified 07 May 2021