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G-31442

CAT: 0931-T202659-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202659-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1106-50-9
Bioactivity
G-31442, a metabolite of sulfinpyrazone, inhibits the activity of cyclooxygenase in human platelets.
Smiles
O=C1N(C=2C=CC=CC2)N(C=3C=CC=CC3)C(=O)C1CCS(=O)(=O)C=4C=CC=CC4
Molecular Formula
C23H20N2O4S
Molecular Weight
420.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,2-Diphenyl-4-(2-(phenylsulfonyl)ethyl)-3,5-pyrazolidinedione

Sulfinpyrazone sulfone is a sulfonic acid derivative.

CAS Number1106-50-9
PubChem CID70676
IUPAC Name4-[2-(benzenesulfonyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
Molecular FormulaC23H20N2O4S
Molecular Weight420.5
XLogP2.5
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity678
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O4S/c26-22-21(16-17-30(28,29)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
DQUYGWDNTAETLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Diphenyl-4-(2-(phenylsulfonyl)ethyl)-3,5-pyrazolidinedione
CAS: 1106-50-9
CID: 70676
Formula: C23H20N2O4S
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass420.11437830
Monoisotopic Mass420.11437830
Topological Polar Surface Area83.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19241875-01G-31442
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GTR18874443-01Protein G (protein G)
abx620682-01Glycoprotein G (G) Protein
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