CHEBI:63934 - bathocuproine disulfonic acid

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ChEBI Name bathocuproine disulfonic acid
ChEBI ID CHEBI:63934
Definition A phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5474606, ZINC000002390960
Download Molfile XML SDF
Formula C26H20N2O6S2
Net Charge 0
Average Mass 520.57700
Monoisotopic Mass 520.07628
InChI InChI=1S/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)
InChIKey FBKZHCDISZZXDK-UHFFFAOYSA-N
SMILES Cc1cc(-c2ccc(cc2)S(O)(=O)=O)c2ccc3c(cc(C)nc3c2n1)-c1ccc(cc1)S(O)(=O)=O
Roles Classification
Chemical Role(s): chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bathocuproine disulfonic acid (CHEBI:63934) has parent hydride 1,10-phenanthroline (CHEBI:44975)
bathocuproine disulfonic acid (CHEBI:63934) has role chelator (CHEBI:38161)
bathocuproine disulfonic acid (CHEBI:63934) is a arenesulfonic acid (CHEBI:33555)
bathocuproine disulfonic acid (CHEBI:63934) is a phenanthrolines (CHEBI:48835)
IUPAC Name
4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid
Synonyms Sources
Bathocuproine disulfonate ChemIDplus
Bathocuproine sulfonate ChemIDplus
Bathocuproinedisulphonic acid ChemIDplus
Registry Numbers Types Sources
73348-75-1 CAS Registry Number ChemIDplus
9595708 Reaxys Registry Number Reaxys
Citations Types Sources
17961528 PubMed citation Europe PMC
18294460 PubMed citation Europe PMC
18991386 PubMed citation Europe PMC
19345716 PubMed citation Europe PMC
19551996 PubMed citation Europe PMC
19888908 PubMed citation Europe PMC
21084060 PubMed citation Europe PMC
21258123 PubMed citation Europe PMC
22077885 PubMed citation Europe PMC
4018232 PubMed citation Europe PMC
Last Modified
17 February 2012