CAS 50-33-9 MFCD00005500-4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine 4-丁基-1,2-二苯基-3,5-吡咯烷二酮 TAO{mole}

4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine 4-丁基-1,2-二苯基-3,5-吡咯烷二酮

CAS 50-33-9 MFCD00005500

化学结构图

SMILES: CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

化学属性

Mol. Formula	C19H20N2O2
Mol. Weight	308
Melting Point	106-108
TSCA	Yes
Density	1.422
Appearance	白色或类白色结晶性粉末。熔点105.5-106.5℃。易溶于丙酮、氯仿或苯，溶于乙醇或乙醚，几乎不溶于水，溶于氢氧化钠溶液。无臭，味略苦。
Solubility	<0.1 g/100 mL at 23.5 °C

别名和识别编码

Chemical Name	4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
Synonym	1,2-Diphenyl-2,3-dioxo-4-N-butylpyrazoline 1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine 1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione 3,5-Dioxe-4 buty-1, diphenyl-pyrazolidine 3,5-dioxe-4buty-1,diphenyl-pyrazolidine 4-Butyl- 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione AURORA KA-3837 Alqoverin BUTADIONUM Betazed Bizolin 200 Butacompren Butacote Butadion Butadione Butapirazol Butapyrazole Butazolidin Butiwas-simple Butoz Diphebuzol Diphenylbutazone Eributazone Febuzina Fenilbutazon Fenilidina Fenotone Ia-BuT NCI-C56531 PHENYLBUTAZONE {} {P
MDL Number	MFCD00005500
CAS Number	50-33-9
PubChem Substance ID	4781
EC Number	200-029-0
Reaxys-RN	290080
Merck Number	7277
Beilstein Registry Number	290080
Chemical Name Translation	4-丁基-1,2-二苯基-3,5-吡咯烷二酮
Wiswesser Line Notation	T5VNNV EHJ BR& CR& E4
LabNetwork Molecule ID	LN00239864
InChI	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

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分类

A to C, Anti-inflammatory, Application Index, Arachidonic Acid Cascade, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Cyclooxygenase, Cyclooxygenase (COX) Enzymes, Cyclooxygenase Inhibitors, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Lipids in Cell Signaling, P, Substrates, Xenobiotics and Drug Metabolism
{SNA} A to C, Anti-inflammatory, Application Index, Arachidonic Acid Cascade, Bioactive Small Molecule Alphabetical Index,

安全信息

RTECSUQ8225000

WGK Germany3

GHS Symbol

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
P301+P310
P301+P310+P330
P301+P312
P302+P352
P302+P352+P332+P313+P362+P364
P304+P312
P304+P340
P304+P341
P305+P351+P338
P305+P351+P338+P337+P313
P308+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P333+P313
P337+P313
P342+P311
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Hazard statements

H301 Toxic if swallowed 吞食有毒
H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H332 Harmful if inhaled 吸入有害
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
H335 May cause respiratory irritation 可能导致呼吸道刺激
H351 Suspected of causing cancer 怀疑致癌
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害

Hazard Codes 6.1 T Xn

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

UN Number 2811

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Risk Statements

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R22 Harmful if swallowed 吞咽有害
R36 Irritating to eyes 刺激眼睛
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R42/43
R45 May cause cancer 可能致癌
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿

Packing GroupIII

Hazard Class6.1

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 4368 mg/kg/4Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   1,744,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Multiple routes
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 4200 mg/kg/77W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   2,1569,1961

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 140 mg/kg/3W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - changes in cell count (unspecified)
   Blood - leukemia
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   2,1552,1960

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 154 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-367,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 168 mg/kg/4W-I
TOXIC EFFECTS :
   Vascular - other changes
   Kidney, Ureter, Bladder - changes primarily in glomeruli
REFERENCE :
   AIMDAP Archives of Internal Medicine.  (AMA, 535 N. Dearborn St., Chicago,
   IL 60610)  V.1-    1908-  Volume(i

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 121 mg/kg
TOXIC EFFECTS :
   Behavioral - analgesia
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 149,571,1964

{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 2426 mg/kg/24H-I
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   AEMED3 Annals of Emergency Medicine.  (American College of Emergency
   Physicians, 1125 Executive Circle, Irving, TX 75038)
   Volume(issue)/page/year: 20,204,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 146 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulend

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   24,219,1975

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 320 umol

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (96),55,1978

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 20 gm/kg
REFERENCE :
   ARGEAR Archiv fuer Geschwulstforschung.  (VEB Verlag Volk und Gesundheit
   Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1949-
   Volume(issue)/page/year: 51,605,1981

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 830 mg/L
REFERENCE :
   GMCRDC Gann Monograph on Cancer Research.  (Plenum Pub. Corp., 233 Spring
   St., New York, NY 10013) No. 11-    1971-  Volume(issue)/page/year:
   27,95,1981

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 18,869,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 30 mg/kg
SEX/DURATION            : female 21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 27,117,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1560 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 10,149,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 780 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Ef

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1050 mg/kg
SEX/DURATION            : female 1-7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1

其他信息

用途一:用于治疗风湿性关节炎及痛风等症
Acros Organics:苯甲丁氮酮/4-丁基-1,2-二苯基-3,5-吡咯烷二酮/保泰松 Phenylbutazone, 99+%(50-33-9)
注意与禁忌:保泰松的副作用发生率约为10%～20%，如短程使用则可减少这一比率。对胃肠道刺激较大，可出现恶心、呕吐、腹痛、便秘，过量可致消化道溃疡，出现便血。对其他系统也有损害，如皮疹、眩晕、血尿、肝炎等。可抑制骨髓引起粒细胞减少，甚至发生再生障碍性贫血，如能及时停药则多可恢复，因而应勤查血象，1周内无效果者，不应再用。与双香豆素类抗凝血药、磺胺类、甲磺丁脲降糖药合用，血药浓度增加，毒性增大。有钠、氯潴留作用，高血
{Chem
方法一:由氢化偶氮苯与丁基丙二酸二乙酯环合而得。将氢化偶氮苯
图谱信息:保泰松(50-33-9)质谱(MS) 保泰松(50-33-9)核磁图( 13 CNMR) 保泰松(50-33-9)核磁图( 1 HNMR) 保泰松(50-33-9)红外图谱(IR2) 保泰松(50-33-9)红外图谱(IR1)
可燃性危险特性:热分解排出有毒氮氧化物烟雾
药理作用:保泰松是一种作用于中枢神经系统的药物，属吡唑酮类衍生物，解热镇痛作用较弱而抗炎作用较强，对炎性疼痛效果好，并能促进尿酸的排泄。保泰松的解热镇痛作用不及乙酰水杨酸，且毒性较大，故一般不作解热镇痛药用，但其抗炎作用较强，可用于治疗风湿性及类风湿性关节炎，急性痛风性关节炎、强直性脊椎炎。另外，本品能减少尿酸盐自肾小管的再吸收，有轻度排尿作用，也可用于急性痛风患者。常需连续给药或与其他药物配合使用。亦可用于治疗急性血吸虫病、丝虫急性淋巴管炎、结核病、恶性肿瘤等引起的发热等。近年研究发现，保泰松消炎、镇痛而产生抗风湿作用的机理不是由于脑垂体-肾上腺兴奋，可能是由于药物在炎症组
急性毒性:口服-大鼠 LD50: 245 毫克/公斤; 口服-小鼠 LD50: 270 毫克/公斤
上游原料:甲醇钠 --> 正丁醇 --> 亚硫酸钠 --> 乙醇钠 --> 丙二酸二乙酯 --> 1,2-二苯肼 --> 正丁基丙二酸二乙酯 --> 保泰松钠
Alfa Aesar:苯基
{Chemicalbo
刺激数据:眼睛-兔 100 毫克中度
药动学:口服吸收快而完全，约2小时后达血药浓度峰值。血浆蛋白结合率为98%。表观分布容积为0.12L/kg，如增加剂量，分布容积亦增大，但血浓度不增加。故重复使用时，其稳态血浓度不呈线性增加。半衰期为56～86小时。可透过胎盘，进入乳汁。本品由肝脏代谢，代谢物为羟基保泰松和γ-羟基保泰松，仍有活性，最终代谢物经尿排出，少量经胆汁排出。
方法一:由氢化偶氮苯与丁基丙二酸二乙酯环合而得。将氢化偶氮苯、丁基丙二酸二乙酯、甲醇钠和亚硫酸钠一起加热，剧烈回流1.5h，生在保泰松钠盐，再用乙酸酸化得到保泰松。
类别:有毒物质
保泰松价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 P1686 苯基丁氮酮 Phenylbutazone 25G 300元 2011/04/16 P1686 苯基丁氮酮 Phenylbutazone 500G 2640元 2010/06/21 199315000 保泰松 Phenylbutazone 99+% 500 GR 3172元
保泰松价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 P1686 苯基丁氮酮 Phenylbutazone 25G 299元 2014/06/02 P1686 苯基丁氮酮 Phenylbutazone 500G 2640元 2010/06/21 199315000 保泰松 Phenylbutazone 99+% 500 GR 3172元
{Ch
MSDS 信息:4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione(50-33-9).msds
Alfa Aesar:苯基丁氮酮,99% Phenylbutazone, 99%(50-33-9)