1,2-Ethanediamine,N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-
- 中文别名：拜查林
- 中文释义：美沙吡林
- 英文别名：methapyrilene;
Restryl;
Thenylpyramine;
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;
Paradormalene;
Methapyrilen;
Semikon;
Pyrinistol;
Thionylan;
Pyrinistab;
Thenylene;
metapyrilene;
Tenalin
- CAS No.：91-80-5
- 分子式：
C14H19N3S
- 分子量：261.38576
- 精确分子量：261.13000
- PSA：47.61000
- InChI：The Key: HNJJXZKZRAWDPF-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 无色液体
- 沸点：
- 173 - 175ºC at 3 mm Hg
安全信息
- 外观与性状：
- 无色液体
- 沸点：
- 173 - 175ºC at 3 mm Hg
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UT1400000
- CHEMICAL NAME :
- Pyridine, 2-((2-(dimethylamino)ethyl)-2-thenylamino)-
- CAS REGISTRY NUMBER :
- 91-80-5
- BEILSTEIN REFERENCE NO. :
- 0220729
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C14-H19-N3-S
- MOLECULAR WEIGHT :
- 261.42
- WISWESSER LINE NOTATION :
- T6NJ BN2N1&1&1- BT5SJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Behavioral - aggression
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 182 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 77 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 :
- 20 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 375 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5,420,1983
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）:2.6
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:6
5.互变异构体数量:无
6.拓扑分子极性表面积:47.6
7.重原子数量:18
8.表面电荷:0
9.复杂度:235
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:0
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
