制备方法

2-氨基-2'硝基二苯酮用亚硝酸钠重氮化、氯化亚铜置换得到2-氯-2'-硝基二苯酮,催化加氢得2-氨基-2'-氯二苯酮,与溴乙酰溴反应生成2-溴-2'(2-氯苯甲酰)乙酰苯胺,将其与吡啶一起回流24h,生成5-(2-氯苯基)-3H-1,4-苯并二氮杂草-2(1H)-酮,最后硝化为氯硝安定。

合成制备方法

2-氨基-2'硝基二苯酮用亚硝酸钠重氮化、氯化亚铜置换得到2-氯-2'-硝基二苯酮，催化加氢得2-氨基-2'-氯二苯酮，与溴乙酰溴反应生成2-溴-2'（2-氯苯甲酰）乙酰苯胺，将其与吡啶一起回流24h，生成5-（2-氯苯基）-3H-1，4-苯并二氮杂草-2（1H）-酮，最后硝化为氯硝安定。

用途简介

抗惊厥药。抗惊厥作用比地西泮或硝西泮约强5倍。适用于控制和型癫痫,对失神小发作,婴儿痉挛、肌阵挛性和运动不能性发作疗效较好。为广谱抗癫痫药

用途

抗惊厥药。抗惊厥作用比地西泮或硝西泮约强5倍。适用于控制和型癫痫，对失神小发作，婴儿痉挛、肌阵挛性和运动不能性发作疗效较好。为广谱抗癫痫药

 

包装等级：

III

风险类别：

6.1(b)

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R11:Highly Flammable. R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .

安全说明：

S7-S16-S36/37-S45-S24/25-S22

RTECS号：

DF2100000

危险标志：

F,T

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DF2100000

CHEMICAL NAME :

2-H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-

CAS REGISTRY NUMBER :

1622-61-3

BEILSTEIN REFERENCE NO. :

0759557

LAST UPDATED :

199706

DATA ITEMS CITED :

16

MOLECULAR FORMULA :

C15-H10-Cl-N3-O3

MOLECULAR WEIGHT :

315.73

WISWESSER LINE NOTATION :

T67 GMV JN IHJ CNW KR BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

21 mg/kg/26W-I

TOXIC EFFECTS :

Peripheral Nerve and Sensation - fasciculations

REFERENCE :

PGMJAO Postgraduate Medical Journal. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1925- Volume(issue)/page/year: 63,311,1987

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

1329 ug/kg/31D-I

TOXIC EFFECTS :

Liver - liver function tests impaired

REFERENCE :

AJGAAR American Journal of Gastroenterology. (American College of Gastroenterology, Inc., 428 E. Preston St., Baltimore, MD 21202) V.21- 1954- Volume(issue)/page/year: 83,576,1988

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>15 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,235,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

14200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>10 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,235,1982

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 :

PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 35,77,1983

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

13300 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>10 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,235,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>18 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7280 mg/kg/26W-I

TOXIC EFFECTS :

Brain and Coverings - changes in brain weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in thyroid weight

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 4,1441,1976 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

1750 ug/kg

SEX/DURATION :

female 14-20 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - biochemical and metabolic

REFERENCE :

LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 44,493,1989

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

3300 ug/kg

SEX/DURATION :

female 6-16 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 40,365,1977

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

8 mg/kg

SEX/DURATION :

female 9 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :

DGDFA5 Development, Growth & Differentiation. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.11- 1969- Volume(issue)/page/year: 22,61,1980

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

24 mg/kg

SEX/DURATION :

female 6-13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 5,2457,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5401 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 998 (estimated) No. of Female Employees: 546 (estimated)

毒理学数据：

对眼睛、皮肤、粘膜有刺激作用

分子结构数据

1、   摩尔折射率：81.24

2、   摩尔体积（m³/mol）：209.9

3、   等张比容（90.2K）：588.6

4、   表面张力（dyne/cm）：61.8

5、   介电常数（F/m）：无可用

6、   极化率（10^-24cm³）：32.20

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:1

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:10

6.拓扑分子极性表面积87.3

7.重原子数量:22

8.表面电荷:0

9.复杂度:491

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