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Sulfinpyrazone

CAT: 0013-GTR19177071-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177071-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulfinpyrazone
CAS Number
57-96-5
Product Name Alternative
COX, antithrombotic, arthritis, (+/-) -Sulfinpyrazone, intermittent, NSC 75925, inhibit, oral, NSC75925, NSC-75925, gouty, G28315, G-28315, G 28315, Inhibitor, platelet, Sulfinpyrazone, uricosuric
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.09% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.94 mM) ; DMSO:40 mg/mL (98.89 mM) ; Ethanol:64 mg/mL (158.23 mM)
Smiles
O=C1N (N (C (=O) C1CCS (=O) C2=CC=CC=C2) C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C23H20N2O3S
Molecular Weight
404.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sulfinpyrazone

Sulfinpyrazone is a sulfoxide and a member of pyrazolidines. It has a role as a uricosuric drug.

CAS Number57-96-5
PubChem CID5342
IUPAC Name4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
Molecular FormulaC23H20N2O3S
Molecular Weight404.5
XLogP2.3
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity571
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey
MBGGBVCUIVRRBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfinpyrazone
CAS: 57-96-5
CID: 5342
Formula: C23H20N2O3S
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass404.11946368
Monoisotopic Mass404.11946368
Topological Polar Surface Area76.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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