52-49-3

• 常用中文名：盐酸苯海索
• 常用英文名：Benzhexol hydrochloride
• CAS号：52-49-3
• 分子式：C₂₀H₃₂ClNO
• 分子量：337.927
• 相关类别： 原料药 神经系统用药 抗震颤麻痹药
• 发布时间：2018-04-30 08:00:00
• 更新时间：2024-01-01 23:56:38
• Trihexyphenidyl盐酸盐是抗毒蕈碱类的抗帕金森剂, 结合至M1毒蕈碱受体。

名称

• 中文名: 盐酸苯海索
• 英文名: Benzhexol hydrochloride
• 中文别名: 盐酸三己芬迪; 1-环己基-1-苯基-3-(1-哌啶基)-丙醇盐酸盐
• 英文别名: 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium chloride; 1-Cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-olhydrochlorid; Trihexy; 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride (1:1); UNII:AO61G82577; 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-olhydrochlorid; 1-cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol hydrochloride; 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1); pacitane; Broflex; (-)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride; 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride; pipanol; 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol hydrochloride (1:1); 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (+)-; tremin; EINECS 205-614-4; Benzhexol HCL; Parkan; paralest; peragit; Sedrina; (+)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride; cyclodol; a-Cyclohexyl-a-phenyl-1-piperidinepropanol Hydrochloride; MFCD00058212; trihexylphenidyl HCl; 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride; 1-cyclohexyl-1-phényl-3-pipéridin-1-ylpropan-1-ol chlorhydrate; D,L-Trihexyphenidyl Hydrochloride; 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (-)-; Trihexyphenidyl hydrochloride

物化性质

• 沸点: 447.9ºC at 760mmHg
• 熔点: 258.5ºC
• 分子式: C₂₀H₃₂ClNO
• 分子量: 337.927
• 闪点: 211ºC
• 精确质量: 337.217255
• PSA: 23.47000
• LogP: 5.07040
• 外观性状: solid | white
• 储存条件:

  通风低温干燥; 与库房食品原料分开存放。

• 水溶解性: H2O: soluble
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积23.5

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:314

  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:1

  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

生物活性

• 描述: Trihexyphenidyl盐酸盐是抗毒蕈碱类的抗帕金森剂, 结合至M1毒蕈碱受体。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  信号通路 >> 神经信号通路 >> mAChR
  研究领域 >> 神经疾病

毒性和生态

毒理学数据: 腹腔-大鼠 LD50: 195 毫克/公斤; 口服-小鼠 LD50: 217 毫克/公斤。 CHEMICAL IDENTIFICATION RTECS NUMBER : TN2625000 CHEMICAL NAME : 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochloride CAS REGISTRY NUMBER : 52-49-3 LAST UPDATED : 199706 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C20-H31-N-O.Cl-H MOLECULAR WEIGHT : 337.98 WISWESSER LINE NOTATION : T6NTJ A2XQR&- AL6TJ &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 800 ug/kg TOXIC EFFECTS : Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis REFERENCE : BJPYAJ British Journal of Psychiatry. (Headley Brothers, Ltd., Ashford, Kent TN24 8HH, UK) V.109- 1963- Volume(issue)/page/year: 145,300,1984 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 400 ug/kg/1W-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified REFERENCE : NEURAI Neurology. (Modern Medicine Pub., Inc., 1 E. First St., Duluth, MN 55802) V.1- 1951- Volume(issue)/page/year: 37,832,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1630 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 195 mg/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: -,311,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 30 mg/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: -,311,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 217 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: 6,525,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 37,483,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 152 mg/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: -,311,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 39 mg/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: -,311,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 320 mg/kg TOXIC EFFECTS : Autonomic Nervous System - parasympatholytic 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: 137,375,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5568 No. of Facilities: 59 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 2666 (estimated) No. of Female Employees: 1339 (estimated)

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S36
• 危险品运输编码: 3249
• WGK德国: 3
• RTECS号: TN2625000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933990090

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%