61-75-6

• 常用中文名：托西溴苄铵
• 常用英文名：Bretylium (tosylate)
• CAS号：61-75-6
• 分子式：C₁₈H₂₄BrNO₃S
• 分子量：414.357
• 相关类别： 原料药 循环系统用药 抗心律失常药
• 发布时间：2018-05-14 08:00:00
• 更新时间：2024-01-02 13:22:21
• Bretylium (tosylate)是血管收缩的神经递质突触前释放的抑制剂，是交感神经和肾上腺素神经的阻断剂。

名称

• 中文名: 溴苄乙胺
• 英文名: bretylium tosylate
• 中文别名: 托西溴苄铵
• 英文别名: Bretylium Tosilate; EINECS 200-516-8; bretylan; Bretylium Tosylate; N-(2-Bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate; N-[(2-bromophenyl)methyl]-N,N-dimethylethanaminium 4-methylbenzenesulfonate; (2-bromophenyl)methyl-ethyl-dimethylazanium,4-methylbenzenesulfonate; bretilium tosilate; MFCD00038731; Bretylium (tosylate)

物化性质

• 熔点: 97-99°
• 分子式: C₁₈H₂₄BrNO₃S
• 分子量: 414.357
• 精确质量: 413.066010
• PSA: 65.58000
• LogP: 5.02530
• 外观性状: white
• 储存条件:

  本品应密封于干燥处保存。

• 水溶解性: H2O: soluble50mg/mL
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积65.6

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:349

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

• 更多:

  1. 性状：白色结晶性粉末

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：97-99

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：极易溶于水、醇、丙酮，不溶于苯、醚、乙酸乙酯、己烷

生物活性

• 描述: Bretylium (tosylate)是血管收缩的神经递质突触前释放的抑制剂,是交感神经和肾上腺素神经的阻断剂。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 神经疾病
• 参考文献:

  [1]. McGinn R et al. Adenosine receptor inhibition attenuates the suppression of postexercise cutaneous blood flow. J Physiol. 2014 Jun 15;592(12):2667-78.

  [2]. Tew GA et al. Aging and aerobic fitness affect the contribution of noradrenergic sympathetic nerves to the rapid cutaneous vasodilator response to local heating. J Appl Physiol (1985). 2011 May;110(5):1264-70

  [3]. Cakir B et al.Leptin inhibits gastric emptying in rats: role of CCK receptors and vagal afferent fibers. Physiol Res. 2007;56(3):315-22. Epub 2006 Jun 22.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : BO9450000 CHEMICAL NAME : Ammonium, (o-bromobenzyl)ethyldimethyl-, p-toluenesulfonate CAS REGISTRY NUMBER : 61-75-6 LAST UPDATED : 199603 DATA ITEMS CITED : 15 MOLECULAR FORMULA : C11-H17-Br-N.C7-H7-O3-S MOLECULAR WEIGHT : 414.40 WISWESSER LINE NOTATION : ER B1K2&1&1 &OSWR D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - woman DOSE/DURATION : 81500 ug/kg/15M-C TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - coma Vascular - BP lowering not characterized in autonomic section REFERENCE : AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 13,177,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 57 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 21,256,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 17 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 84 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 14,536,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 39 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value 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: 155,69,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 72 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 14,536,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 14 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 64 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 43 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 *** REVIEWS *** TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5621 No. of Facilities: 51 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1056 (estimated) No. of Female Employees: 657 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302 + H312 + H332
• 警示性声明: P261-P280-P301 + P312 + P330
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 20/21/22
• 安全声明 (欧洲): S36
• 危险品运输编码: NONH for all modes of transport
• RTECS号: BO9450000

制备

以邻甲苯胺为原料，经重氮化脱氮并用溴置换生成邻溴甲苯，在光照下和溴素溴化生成邻溴苄基溴甲烷，再用二甲胺在压力下胺化得邻溴苄基二甲胺，最后与对-甲基磺酸乙酯加成得成品。