CHEBI:63942 - ferrozine monosodium salt

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name ferrozine monosodium salt ChEBI ID CHEBI:63942 Definition An organic sodium salt that is the monosodium salt of 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonic acid. 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 C20H13N4NaO6S2 Net Charge 0 Average Mass 492.46000 Monoisotopic Mass 492.01742 InChI InChI=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 InChIKey ZGVNYCXXBQPDPQ-UHFFFAOYSA-M SMILES [H+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)-c1nnc(nc1-c1ccc(cc1)S([O-])(=O)=O)-c1ccccn1 Roles Classification Chemical Role(s): iron chelator View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine, monosodium salt ChemIDplus Ferrozine sodium ChemIDplus Ferrozine sodium salt ChemIDplus Sodium (3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzene-4,4'-sulphonate) ChemIDplus sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate IUPAC Registry Number Type Source 69898-45-9 CAS Registry Number ChemIDplus Citation Type Source 9400694 PubMed citation Europe PMC Last Modified 20 February 2012