64-47-1

• 常用中文名：毒扁豆碱半硫酸盐
• 常用英文名：Physostigmine hemisulfate
• CAS号：64-47-1
• 分子式：C₁₅H₂₁N₃O_2.1/₂H₂O₄S
• 分子量：648.77100
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 氨基吡啶
• 发布时间：2018-05-08 08:00:00
• 更新时间：2024-01-30 18:52:36
• Physostigmine hemisulfate (Eserine hemisulfate) 是一种有效的胆碱酯酶 (cholinesterase) 抑制剂。Physostigmine hemisulfate 可以透过血脑屏障并并刺激中枢胆碱能神经传递。Physostigmine hemisulfate 诱导成年大鼠中异氟醚麻醉下的复活。

名称

• 中文名: 硫酸依色林
• 英文名: Eserine hemisulfate salt
• 中文别名: 硫酸毒豆碱
• 英文别名: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate,sulfuric acid; EINECS 200-585-4; MFCD06795853; Eserine Hemisulfate

物化性质

• 沸点: 557.5ºC at 760 mmHg
• 分子式: C₁₅H₂₁N₃O_2.1/₂H₂O₄S
• 分子量: 648.77100
• 闪点: 291ºC
• 精确质量: 648.29400
• PSA: 172.60000
• LogP: 4.76340
• 外观性状: 固体
• 储存条件: 2-8°C
• 计算化学:

  1、 氢键供体数量：4

  2、 氢键受体数量：12

  3、 可旋转化学键数量：4

  4、 互变异构体数量：3

  5、 拓扑分子极性表面积（TPSA）：164

  6、 重原子数量：45

  7、 表面电荷：0

  8、 复杂度：484

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：4

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：3

• 更多:

  1. 性状：不确定

  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）：不确定

  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：不确定

生物活性

• 描述: Physostigmine hemisulfate (Eserine hemisulfate) 是一种有效的胆碱酯酶 (cholinesterase) 抑制剂。Physostigmine hemisulfate 可以透过血脑屏障并并刺激中枢胆碱能神经传递。Physostigmine hemisulfate 诱导成年大鼠中异氟醚麻醉下的复活。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> 疼痛
• 体内研究: 半硫酸毒扁豆碱(IV；0.1,0.2mg/kg)对雄性Sprague-Dawley大鼠在剂量≥0.2mg/kg时延迟异氟醚麻醉的苏醒时间[1]。
• 参考文献:

  [1]. Jonathan D Kenny, et al. Physostigmine and Methylphenidate Induce Distinct Arousal States During Isoflurane General Anesthesia in Rats. Anesth Analg. 2016 Nov;123(5):1210-1219.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UY8585000 CAS REGISTRY NUMBER : 64-47-1 LAST UPDATED : 199701 DATA ITEMS CITED : 15 MOLECULAR FORMULA : C30-H42-N6-O4.O4-S MOLECULAR WEIGHT : 646.84 WISWESSER LINE NOTATION : T C556 BN DNTT&J B1 D1 G1 JQ &QVM1 &QSWQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human - man DOSE/DURATION : 191 ng/kg TOXIC EFFECTS : Behavioral - hallucinations, distorted perceptions Gastrointestinal - nausea or vomiting Gastrointestinal - other changes REFERENCE : AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 53,313,1905 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 11,286,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1621 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S195,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 450 ug/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: 259,153,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1680 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,137,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 510 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 29,39,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 700 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 11,286,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 178 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03167 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 1250 ug/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,95,1932 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1500 ug/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,95,1932 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 207,547,1949 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 325 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,95,1932 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral DOSE : 200 ug/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - sex ratio REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1626,1973 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral DOSE : 200 ug/kg SEX/DURATION : female 9 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1626,1973

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300 + H330
• 警示性声明: P260-P264-P284-P301 + P310-P310
• 危害码 (欧洲): T+
• 风险声明 (欧洲): 26/28
• 安全声明 (欧洲): S25-S45
• 危险品运输编码: UN 2811 6.1/PG 1
• WGK德国: 3
• RTECS号: UY8585000
• 包装等级: II
• 危险类别: 6.1(a)