盐酸苯海索

盐酸苯海索 基本信息
CAS号 52-49-3 分子式 C20H32ClNO
分子量 337.92700 精确质量 　337.21700
PSA 　23.47000 LogP 　5.07040
我要卖该产品 我要采购该产品

等价的CAS号：

52-49-3,30953-85-6,30953-86-7,58947-95-8
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 化学图谱 毒性 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
52-49-3
3D弹球模型：
立即前往扯扯看
分子式：
C20H32ClNO
分子量：
337.92700
中文名称：
盐酸苯海索
英文名称：
Benzhexol hydrochloride
中文别名：
盐酸苯海索;
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：
Benzhexol hydrochloride;
peragit;
cyclodol;
pipanol;
tremin;
Broflex;
trihexylphenidyl HCl;
D,L-Trihexyphenidyl Hydrochloride;
paralest;
pacitane;
Sedrina;
Trihexy
精确分子量/精确质量：
337.21700
极性分子表面积/PSA：
23.47000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00058212
EINECS：
200-142-5
InChI：
InChI=1/C20H31NO.2ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;2*1H

生产制备方法及用途展开↓

制备方法

用于治疗老年震颤病症。

用途简介

用途

用于治疗老年震颤病症。

物化性质展开↓

熔点：
258.5ºC
沸点：
447.9ºC at 760mmHg
闪点：
211ºC
存储条件/存储方法：
通风低温干燥,与库房食品原料分开存放

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2933990090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22
安全说明：
S36
RTECS号：
TN2625000
安全标志：
S36:穿戴合适的防护服装。
危险标志：
Xn

化学图谱

  1. 盐酸苯海索红外图谱(IR1)

  2. 盐酸苯海索红外图谱(IR2)

  3. 盐酸苯海索质谱(MS)

上一页 1/4 下一页

毒理性展开↓

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)
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。

海关数据查看详细

中国海关编码：2933990090

概述：
2933990090. 其他仅含氮杂原子的杂环化合物. 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
摘要/Summary：
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据

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

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP