四氢西泮
- 中文名称:
- 四氢西泮
- 中文别名:
- 四氢西泮;
甲环己烯安定
- 英文名称:
- 2H-1,4-Benzodiazepin-2-one,7-chloro-5-(1-cyclohexen-1-yl)-1,3-dihydro-1-methyl-
- 英文别名:
- 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;
Tetrazepam;
Ro 06-6657;
DEA No. 2886;
Myolastan;
Clinoxan;
Musaril;
EINECS 233-837-7
- CAS No.:
- 10379-14-3
- 分 子 式:
-
C16H17ClN2O
- 分 子 量:
- 288.80
- 精确分子量:
- 290.11900
- PSA:
- 32.34000
- EINECS:
- 233-837-7
- InChI:
- The Key: IQWYAQCHYZHJOS-UHFFFAOYSA-N3
- 安全术语:
- Moderately toxic by ingestion and intraperitoneal routes. A tranquilizer and muscle relaxant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also DIAZEPAM and KETONES.
- 分子结构式:
-
- SDS:
- 查看
四氢西泮 物化性质
- 密度:
- 1.27g/cm3
- 沸点:
- 502.1ºC at 760mmHg
- 闪点:
- 257.5ºC
- 折射率:
- 1.635
- 蒸汽压:
- 3.28E-10mmHg at 25°C
- 存储条件/存储方法:
- 库房低温通风干燥,作为控制使用药物应专人保管
四氢西泮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DF0525000
- CHEMICAL NAME :
- 2H-1,4-Benzodiazepin-2-one,
7-chloro-5-(1-cyclohexen-1-yl)-1,3-dihydro-1-methyl-
- CAS REGISTRY NUMBER :
- 10379-14-3
- BEILSTEIN REFERENCE NO. :
- 0890548
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C16-H17-Cl-N2-O
- MOLECULAR WEIGHT :
- 288.80
- WISWESSER LINE NOTATION :
- T67 GNV JN IHJ CG G1 K- AL6UTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For
publisher information, see EJMCA5. Volume(issue)/page/year: 2,254,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 415 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: -,171,1972
四氢西泮 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:2
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积:32.7
7.重原子数量:20
8.表面电荷:0
9.复杂度:457
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