Sulfinpyrazone 1,2-二苯基-4-[2-(苯基亚磺酰基)乙基]吡唑烷-3,5-二酮

CAS 57-96-5 MFCD00057279

化学结构图

57-96-5
SMILES: O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1

化学属性

Mol. FormulaC23 H20 N2 O3 S
Mol. Weight404.48

别名和识别编码

Chemical NameSulfinpyrazone
MDL NumberMFCD00057279
CAS Number57-96-5
Synonym (±)-磺吡酮 (+)-SULFINPYRAZONE (+/-)-SULFINPYRAZONE 1,2-DIPHENYL-4-(PHENYLSUFINYLETHYL)-3,5-PYRAZOLIDINEDIONE 1,2-DIPHENYL-4-[PHENYLSULFINYLETHYL]-3,5-PYRAZOLIDINEDIONE 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin 1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione 1,2-diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)pyrazolidine 1,2-diphenyl-3,5-dioxo-4-(2’-phenyl-sulfinyl-aethyl)-pyrazolidin 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-5-pyrazolidinedione 1,2-diphenyl-4-(2’-phenylsulfinethyl)-3,5-pyrazolidinedione 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-5-pyrazolidinedione 1,2-二苯基-4-(2-(苯亚磺酰)乙基)-3,5-吡唑烷二酮 1,2-二苯基-4-(苯亚砜基乙基)-3,5-吡咯烷二酮 1,2-二苯基-4-(苯亚砜基乙基)-3,5-吡咯烷二酮 Diphenylpyraz
PubChem Substance ID5342
EC Number200-357-4
Chemical Name Translation1,2-二苯基-4-[2-(苯基亚磺酰基)乙基]吡唑烷-3,5-二酮
Wiswesser Line NotationT5VNNV EHJ BR& CR& E2SO&R
Beilstein Registry Number0713597
LabNetwork Molecule IDLN01313411
InChIInChI=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
Canonical SMILESO=C(C1CCS(C2=CC=CC=C2)=O)N(C3=CC=CC=C3)N(C4=CC=CC=C4)C1=O
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Application Index, Biochemicals and Reagents, Cell Signaling Enzymes, Chromatography, Drugs & Metabolites, Forensic and Veterinary Standards, Inhibitors, Neat Compounds, S, SN - SZ, Standards for Personal Care and Cosmetic Products, Xenobiotics and Drug Metabolism, neats, prohibited substances (EU-REGULATION No 1223/2009), 酶、抑制剂和底物
  • {SNA} Analytical Standards, EP Standards, EP Standards S - T, Food and Cosmetic Component Standards, Pharmacopeia & Metrological Institutes Standards, Standards for Persona

安全信息

GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
WGK Germany3
Signal word Warning
RTECSUQ8575000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 154 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 86,263,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 195 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   5,391,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 358 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,393,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 298 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 86,263,1960

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 1 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 26,159,1974

Storage condition -20°C -20℃ 2-8°C
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • MOL 文件:57-96-5.mol
  • 图谱信息:苯磺保泰松(57-96-5)红外图谱(IR2) 苯磺保泰松(57-96-5)质谱(MS) 苯磺保泰松(57-96-5)红外图谱(IR1)
  • 用途一:用作抗痛风药
  • Sigma Aldrich:57-96-5(sigmaaldrich)

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs & Metabolites - Forensic and Veterinary Standards
  6. Neat Compounds - Drugs & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. S - Alphabetic
  5. SN - SZ - S
  1. Functional Group 官能团索引
  2. sulfoxide

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