10H-Phenothiazine,10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-
- 中文别名：美索哒嗪
- 中文释义：美索哒嗪;甲砜哒嗪;10-[2-(1-甲基哌啶-2-基)乙基]-2-甲基亚砜吩噻嗪
- 英文别名：mesoridazine;
Mesoridazina;
Thioridazine-2-sulfoxide;
Lidanar;
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;
Tps23;
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfinyl)-10H-phenothiazine;
Mesoridazinum;
10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulphinylphenothiazine;
Lidanil;
Calodal;
Serentil;
Thioridazine thiomethyl sulfoxide;
10-{2-[(RS)1-methylpiperidin-2-yl]ethyl}-2-methylsulfinyl-10H-phenothiazine
- CAS No.：5588-33-0
- 分子式：
C21H26N2OS2
- 分子量：386.5739
- 精确分子量：386.14900
- PSA：68.06000
- InChI：The Key: SLVMESMUVMCQIY-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.3g/cm3
- 沸点：
- 570.5ºC at 760mmHg
- 闪点：
- 298.9ºC
- 折射率：
- 1.694
安全信息
- 密度：
- 1.3g/cm3
- 沸点：
- 570.5ºC at 760mmHg
- 闪点：
- 298.9ºC
- 折射率：
- 1.694
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SP1880000
- CHEMICAL NAME :
- Phenothiazine, 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl) -
- CAS REGISTRY NUMBER :
- 5588-33-0
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C21-H26-N2-O-S2
- MOLECULAR WEIGHT :
- 386.61
- WISWESSER LINE NOTATION :
- T C666 BN ISJ ESO&1 B2- BT6NTJ A
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 86 mg/kg
- TOXIC EFFECTS :
- Cardiac - arrhythmias (including changes in conduction)
- REFERENCE :
- JCPYDR Journal of Clinical Pyschopharmacology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1981- Volume(issue)/page/year: 2,222,1982
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 42 mg/kg
- TOXIC EFFECTS :
- Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - chronic pulmonary edema Blood - hemorrhage
- REFERENCE :
- ARGPAQ Archives of General Psychiatry. (AMA, 535 N. Dearborn St., Chicago,IL 60610) V.3- 1960- Volume(issue)/page/year: 34,955,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 644 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,363,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 509 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,363,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 560 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: -,29,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 26 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: -,29,1972
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,363,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 405 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,363,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 60480 mg/kg/72W-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Skin and Appendages - dermatitis, other (after systemic exposure) Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,363,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4738 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 103 (estimated) No. of Female Employees: 52 (estimated)
分子结构与计算化学数据
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:5
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:68.1
7.重原子数量:26
8.表面电荷:0
9.复杂度:502
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:2
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
