硫利达嗪

硫利达嗪 基本信息
CAS号 50-52-2 分子式 C21H26N2S2
分子量 370.57500 精确质量 　370.15400
PSA 　57.08000 LogP 　5.88850
我要卖该产品 我要采购该产品

等价的CAS号：

50-52-2,52496-67-0,57129-06-3,114488-10-7
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 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
50-52-2
3D弹球模型：
立即前往扯扯看
分子式：
C21H26N2S2
分子量：
370.57500
中文名称：
硫利达嗪
英文名称：
thioridazine
中文别名：
硫利达嗪;
10-[2-(1-甲基-2-哌啶基)乙基]-2-甲硫基-10H-吩噻嗪;
硫醚嗪
英文别名：
thioridazine;
Thioridazine;
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
精确分子量/精确质量：
370.15400
极性分子表面积/PSA：
57.08000
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：
MFCD00242875
EINECS：
200-044-2
InChI：
InChI=1/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3

生产制备方法及用途展开↓

制备方法

本品由丙酮中得晶体

合成制备方法

本品由丙酮中得晶体

用途简介

本品有镇静作用，用于神经官能症，酒依赖戒断症，舞蹈症，伴有紧张、焦虑及躯体感觉异常的精神障碍患者，精神分裂症患者，并有明显抗胆碱作用。制剂为片剂。

用途

本品有镇静作用，用于神经官能症，酒依赖戒断症，舞蹈症，伴有紧张、焦虑及躯体感觉异常的精神障碍患者，精神分裂症患者，并有明显抗胆碱作用。制剂为片剂。  

 

物化性质展开↓

密度：
1.237 g/cm3
沸点：
230ºC at 0.02 MM HG
闪点：
265.665ºC
存储条件/存储方法：

本品密封避光干燥保存。

 

其它信息：

1.      性状： 晶体。

2.         密度（g/mL,25/4℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：72～74℃

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC, 5.2 kPa）：未确定

7.         折射率：未确定

8.         闪点（ºC）：未确定

9.         比旋光度（º）：未确定

10.      自燃点或引燃温度（ºC）：未确定

11.      蒸气压（kPa,25 ºC）：未确定

12.      饱和蒸气压（kPa,60 ºC）：未确定

13.      燃烧热（KJ/mol）：未确定

14.      临界温度（ºC）：未确定

15.      临界压力（KPa）：未确定

16.      油水（辛醇/水）分配系数的对数值：未确定

17.      爆炸上限（%,V/V）：未确定

18.      爆炸下限（%,V/V）：未确定

19.      溶解性：未确定

 

合成路线查看所有的合成路线

  • 16463-38-0

    邻氯苯甲酸钾

  • →

  • 50-52-2

    硫利达嗪

  • 18902-93-7

    BENZOIC ACID, 2-{[3-(METHYLTHIO)PHENYL]AMINO}

  • →

  • 50-52-2

    硫利达嗪

  • 101895-74-3

    101895-74-3

  • →

  • 50-52-2

    硫利达嗪

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SP2100000
CHEMICAL NAME :
Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
50-52-2
LAST UPDATED :
199712
DATA ITEMS CITED :
28
MOLECULAR FORMULA :
C21-H26-N2-S2
MOLECULAR WEIGHT :
370.61
WISWESSER LINE NOTATION :
T C666 BN ISJ ES1 B2- BT6NTJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
28 mg/kg/2W-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
14500 mg/kg/15Y-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - visual field changes Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - chronic pulmonary edema Blood - hemorrhage
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Cardiac - change in rate Behavioral - toxic psychosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - parasympatholytic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
5214 mg/kg/5Y-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
995 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - antipsychotic
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Autonomic Nervous System - central sympatholytic Behavioral - alteration of classical conditioning
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
71 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
385 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
26 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3040 mg/kg/22W-I
TOXIC EFFECTS :
Cardiac - EKG changes not diagnostic of specified effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
male 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
30 mg/kg
SEX/DURATION :
male 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3214 ug/kg
SEX/DURATION :
male 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
80 mg/kg
SEX/DURATION :
female 1-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
100 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
100 mg/L
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: 11,403,1973 *** REVIEWS *** TOXICOLOGY REVIEW JMSCA9 Journal of Mental Science. (London, UK) V.4-108, 1857-1962. For publisher information, see BJPYAJ. Volume(issue)/page/year: 106,755,1960 TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5668 No. of Facilities: 35 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 430 (estimated) No. of Female Employees: 239 (estimated)

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：112.80

2、  摩尔体积（cm3/mol）：299.5

3、  等张比容（90.2K）：829.1

4、  表面张力（dyne/cm）：58.6

5、  极化率（10-24cm3）：44.71

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:0

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积57.1

7.重原子数量:25

8.表面电荷:0

9.复杂度:432

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:1

上下游相关产品

上游产品

更多

  • 7643-08-5

    2-甲巯基吩噻嗪

  • 13313-45-6

    3-甲硫基-N-苯基苯胺

  • 99970-41-9

    10H-phenothiazine-2-thiol

  • 1783-81-9

    3-氨基茴香硫醚

  • 101895-74-3

    N/A

下游产品

更多

  • 5588-33-0

    美索哒嗪

  • 14759-06-9

    磺达嗪

  • 7776-05-8

    10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5-oxide

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