CAS 57-96-5 MFCD00057279-Sulfinpyrazone 1,2-二苯基-4-[2-(苯基亚磺酰基)乙基]吡唑烷-3,5-二酮 TAO{mole}

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

SMILES: O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1

化学属性

Mol. Formula	C23 H20 N2 O3 S
Mol. Weight	404.48

别名和识别编码

Chemical Name	Sulfinpyrazone
MDL Number	MFCD00057279
CAS Number	57-96-5
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 ID	5342
EC Number	200-357-4
Chemical Name Translation	1,2-二苯基-4-[2-(苯基亚磺酰基)乙基]吡唑烷-3,5-二酮
Wiswesser Line Notation	T5VNNV EHJ BR& CR& E2SO&R
Beilstein Registry Number	0713597
LabNetwork Molecule ID	LN01313411
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
Canonical SMILES	O=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)