Ferrozine free acid
Basic information
- CAS
32796-55-7- Standard SMILES
O=S(=O)(O)c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
JFVUMQYWYNDZDK-UHFFFAOYSA-N- Molecular formula
- C20H14N4O6S2
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.03547653
Overview
Ferrozine free acid is an arenesulfonic acid that is the 4,4'-disulfo derivative of 5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine. It has a role as an iron chelator. It is a member of pyridines, an arenesulfonic acid and a member of 1,2,4-triazines. It is a conjugate acid of a ferrozine(2-).
Names & identifiers
- Preferred name
- Ferrozine free acid
- IUPAC
- 4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonic acid
- English name
- 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine
- Molecular formula
- C20H14N4O6S2
- Molecular weight
- 470.48
Names & synonyms
ferrozine free acid32796-55-74-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonic acid4,4'-(3-(Pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dibenzenesulfonic acid3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazineBenzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonic acidSCHEMBL164702CHEBI:63946DTXSID90186463JFVUMQYWYNDZDK-UHFFFAOYSA-NAKOS024374985
Show more names
4,4'-[3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonic acid)Benzenesulfonic acid, 4-[3-(2-pyridinyl)-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]-
NS00029351ST51015113Q271329274,4'-[3-(Pyridin-2-yl)-1,2,4-triazine-5,6-diyl]di(benzene-1-sulfonic acid)4-[3-(2-pyridyl)-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonic acid
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 827
Chemistry & industry
Additional notes
DefinitionChEBI: An arenesulfonic acid that is the 4,4'-disulfo derivative of 5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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