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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.
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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