米地司坦
- 中文名称：
- 米地司坦
- 中文别名：
- 米地司坦
- 英文名称：
- Midesteine
- 英文别名：
- S-[1-oxo-1-[(2-oxothiolan-3-yl)amino]propan-2-yl] thiophene-2-carbothioate;
Midesteina;
MR-889;
Midesteine
- CAS No.：
- 94149-41-4
- 分 子 式：
-
C12H1-NO3S3
- 分 子 量：
- 0
- 精确分子量：
- 315.00600
- PSA：
- 142.08000
- SDS：
- 查看
米地司坦 物化性质
- 密度：
- 1.42g/cm3
- 沸点：
- 559.3ºC at 760 mmHg
- 闪点：
- 292ºC
- 折射率：
- 1.643
米地司坦 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XM8120000
- CHEMICAL NAME :
- 2-Thiophenecarbothioic acid,
S-(1-methyl-2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amin
o) ethyl) ester
- CAS REGISTRY NUMBER :
- 94149-41-4
- LAST UPDATED :
- 199406
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H13-N-O3-S3
- MOLECULAR WEIGHT :
- 315.44
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
15,997,1990
米地司坦 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）:2.7
2.氢键供体数量:1
3.氢键受体数量:6
4.可旋转化学键数量:5
5.互变异构体数量:4
6.拓扑分子极性表面积:142
7.重原子数量:19
8.表面电荷:0
9.复杂度:388
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