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CHEBI:63942 - ferrozine monosodium salt

ChEBI IDCHEBI:63942
ChEBI Nameferrozine monosodium salt
Stars
DefinitionAn organic sodium salt that is the monosodium salt of 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonic acid.
Last Modified20 February 2012
SubmitterSteve
DownloadsMolfile
FormulaH.C20H12N4O6S2.Na
Net Charge0
Average Mass492.470
Monoisotopic Mass492.01742
SMILESO=S(=O)([O-])c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)[O-])cc2)cc1.[H+].[Na+]
InChIInChI=1S/C20H14N4O6S2.Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;/h1-12H,(H,25,26,27)(H,28,29,30);/q;+1/p-1
InChIKeyZGVNYCXXBQPDPQ-UHFFFAOYSA-M
Roles Classification
Chemical Role:
ChEBI Ontology
Outgoing Relation(s)
ferrozine monosodium salt (CHEBI:63942) has part ferrozine(2−) (CHEBI:63945)
ferrozine monosodium salt (CHEBI:63942) has role iron chelator (CHEBI:38157)
ferrozine monosodium salt (CHEBI:63942) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
hydrogen sodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonate
Synonyms  Source
sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonateIUPAC
Ferrozine sodium saltChemIDplus
3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine, monosodium saltChemIDplus
Ferrozine sodiumChemIDplus
Sodium (3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzene-4,4'-sulphonate)ChemIDplus
Registry NumbersSources
CAS:69898-45-9ChemIDplus
Citations