1,2-Diphenyl-4-(2-(phenylsulfonyl)ethyl)-3,5-pyrazolidinedione
Basic information
- CAS
1106-50-9- Standard SMILES
O=C1C(CCS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1- InChIKey
DQUYGWDNTAETLI-UHFFFAOYSA-N- Molecular formula
- C23H20N2O4S
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.1143783
Overview
Sulfinpyrazone sulfone is a sulfonic acid derivative.
Names & identifiers
- Preferred name
- 1,2-Diphenyl-4-(2-(phenylsulfonyl)ethyl)-3,5-pyrazolidinedione
- IUPAC
- 4-[2-(benzenesulfonyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
- English name
- 1,2-diphenyl-4-[2-(phenylsulphonyl)ethyl]pyrazolidine-3,5-dione
- Molecular formula
- C23H20N2O4S
- Molecular weight
- 420.4809
Names & synonyms
1106-50-95M9FOG2KDIG 314421,2-Diphenyl-4-(2-(phenylsulfonyl)ethyl)-3,5-pyrazolidinedioneG-31442RefChem:142019Sulfinpyrazone sulfone4-[2-(benzenesulfonyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dioneSulfinpyrazone impurity A CRS1,2-DIPHENYL-4-[2-(PHENYLSULPHONYL)ETHYL]PYRAZOLIDINE-3,5-DIONE1,2-diphenyl-4-(2-(phenylsulfonyl)ethyl)pyrazolidine-3,5-dione1,2-Diphenyl-4-(2-(phenylsulphonyl)ethyl)pyrazolidine-3,5-dione
Show more names
Sulfinpyrazone Impurity 1 (Sulfinpyrazone EP Impurity A)1,2-Diphenyl-4-[2-(phenylsulfonyl)ethyl]-3,5-pyrazolidinedione
EINECS 214-169-5UNII-5M9FOG2KDISulfinpyrazone EP Impurity Aorb2815052DTXSID00911788CHEBI:143290DQUYGWDNTAETLI-UHFFFAOYSA-NNS00045108
Database identifiers
- CAS
1106-50-9- PubChem CID
- 70676
- DTXSID
DTXSID00911788- ChEBI
CHEBI:143290- UNII
- 5M9FOG2KDI
- EC Number
- 214-169-5
- Nikkaji
- J217.221F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
LogP3.51
Physicochemical properties
- FDA UNII
- 5 M9FOG2KDI · 5M9FOG2KDI
Chemistry & industry
Pharmacology
Metabolism/MetabolitesSulfinpyrazone sulfone is a known human metabolite of Sulfinpyrazone.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesSulfinpyrazone sulfone can be used to help with atherosclerosis in various animals. This compound can be used in High Pressure-Liquid Chromatography.
Additional notes
DefinitionChEBI: Sulfinpyrazone sulfone is a sulfonic acid derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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