CAS 57-96-5|Anturanil|Anturen|sulfinpyrazone|Diphenylpyrazone|Novopyrazone|Anturane|Sulfinpyrazon|Sulfinpyrazine|4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione|Sulphinpyrazone|Apo-S...

General Information

Structure

Molecular Formula

C₂₃H₂₀N₂O₃S

Molecular Mass

404.4815

Exact Mass

404.11946351

Charge

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

Canonic Smiles

O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1

Isomeric Smiles

S(=O)(CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)c1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

1.10

LogD (pH = 5.5)

1.67

Log P

3.19

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

3.86

Polar Surface Area

57.69

Polarizability

42.96

Molar Refractivity

113.62

LOG S

-4.66

Data Source

Names and Identifiers

Brand Name

AnturaneNovopyrazoneAnturenAnturanilApo-SulfinpyrazoneAnturanoAnturidinEnturenAnturanEnturan

Synonyms

SulfinpyrazonDiphenylpyrazoneSulfinpyrazoneSulphinpyrazoneSulfoxyphenylpyrazolidineSulfinpyrazineUsaf Ge-13(±)-磺吡酮(±)-Sulfinpyrazone1,2-二苯基-4-(苯亚砜基乙基)-3,5-吡咯烷二酮4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione(±)-SULFINPYRAZONE1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl-3,5-pyrazolidinedione1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl) pyrazolidine1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)pyrazolidineAnturane (TN)SulfinpyrazoneSulfoxyphenylpyrazolidinesulfinpyrazone

IUPAC Traditional name

sulfinpyrazone

IUPAC name

4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

API Name

Sulfinpyrazone

Names and Identifiers

Registration numbers

PubChem SID

160964472248998414650491814718483

PubChem CID

MDL Number

CAS Number

EC Number

DrugBank ID

Wikipedia Title

Beilstein Number

BKMS React Database

KEGG DRUG Database

BRENDA Ligand Database

KEGG ID

CHEMBL

CompTox Database

Drug Central Database

2,528

CHEBI ID

CHEBI:9342

BRENDA Database

7.2.2.27.6.2.22.4.1.17

MetaboLights Database

SureChEMBL Database

LINCS Database

ACToR Database

Registration numbers

Properties

Physical Property

Hydrophobicity(logP)

2.4

Solubility

31.2 mg/L

Melting Point

136-137

Product Information

Certificate of Analysis

Download link

Purity

≥99%

Grade

analytical standard, for drug analysis

Pharmacology Properties

Gene Information

human ... PDE3A(5139)

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

DrugBank

DB01138

Drug Groups

approved

Description

A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. [PubChem]

Indication

For the treatment of gout and gouty arthritis.

Pharmacology

Sulfinpyrazone's pharmacologic activity is the potentiation of the urinary excretion of uric acid. It is useful for reducing the blood urate levels in patients with chronic tophaceous gout and acute intermittent gout, and for promoting the resorption of tophi.

Toxicity

Symptoms of overdose include nausea, vomiting, diarrhea, epigastric pain, ataxia, labored respiration, convulsions, coma. Possible symptoms, seen after overdosage with other pyrazolone derivatives: anemia, jaundice, and ulceration.

Affected Organisms

Humans and other mammals

Half Life

Approximately 4-6 hours

Protein Binding

98-99%

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Brand Name

AnturaneNovopyrazoneAnturenAnturanilApo-SulfinpyrazoneAnturanoAnturidinEnturenAnturanEnturan

Synonyms

IUPAC Traditional name

sulfinpyrazone

IUPAC name

4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

API Name

Sulfinpyrazone

Registration numbers

PubChem SID

160964472248998414650491814718483

PubChem CID

MDL Number

CAS Number

EC Number

DrugBank ID

Wikipedia Title

Beilstein Number

BKMS React Database

KEGG DRUG Database

BRENDA Ligand Database

KEGG ID

CHEMBL

CompTox Database

Drug Central Database

2,528

CHEBI ID

CHEBI:9342

BRENDA Database

7.2.2.27.6.2.22.4.1.17

MetaboLights Database

SureChEMBL Database

LINCS Database

ACToR Database

Properties

Physical Property

Hydrophobicity(logP)

2.4

Solubility

31.2 mg/L

Melting Point

136-137

Product Information

Certificate of Analysis

Download link

Purity

≥99%

Grade

analytical standard, for drug analysis

Pharmacology Properties

Gene Information

human ... PDE3A(5139)

Molecule Details

DrugBank

DB01138

Drug Groups

approved

Description

A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. [PubChem]

Indication

For the treatment of gout and gouty arthritis.

Pharmacology

Toxicity

Affected Organisms

Humans and other mammals

Half Life

Approximately 4-6 hours

Protein Binding

98-99%

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:1009