制备方法

医疗用途为中枢神经抑制安`眠`药,具有镇静,安`眠,抗焦虑。

用途简介

用途

抗精神病药

包装等级：

III

风险类别：

3

海关代码：

29299000

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R45:May cause cancer. R10:Flammable. R40:Limited evidence of a carcinogenic effect. R36/37/38:Irritating to eyes, respiratory system and skin .

安全说明：

S53-S45-S36/37/39-S26-S16

RTECS号：

TH3390000

危险标志：

T,Xi,Xn,F

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DF2410000

CHEMICAL NAME :

2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-methyl-7-nitro-5-phenyl-

CAS REGISTRY NUMBER :

2011-67-8

BEILSTEIN REFERENCE NO. :

0759813

LAST UPDATED :

199612

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C16-H13-N3-O3

MOLECULAR WEIGHT :

295.32

WISWESSER LINE NOTATION :

T67 GNV JN IHJ CNW G1 KR

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 :

970 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

970 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>1 gm/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

750 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

510 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - altered sleep time (including change in righting reflex)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

700 mg/kg

SEX/DURATION :

female 8-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TYPE OF TEST :

Unscheduled DNA synthesis

TEST SYSTEM :

Rodent - rat Liver

DOSE/DURATION :

500 umol/L

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 32,223,1994

毒理学数据：

1、急性毒性：大鼠经口LD50：970mg/kg；大鼠经腹腔LD50：970mg/kg；大鼠经皮下LD50：>1mg/kg；

小鼠经口LD50：750mg/kg；小鼠经腹腔LD50：510mg/kg；小鼠经皮下LD50：>5mg/kg；

2、生殖毒性

小鼠生殖毒性试验：小鼠经口TDLo：700 mg/kg。

3、致突变性

小鼠非程序的DNA合成：肝，500mg/kg。

生态数据：

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

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:1

5.互变异构体数量:2

6.拓扑分子极性表面积78.5

7.重原子数量:22

8.表面电荷:0

9.复杂度:480

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