匹那西泮

匹那西泮 基本信息
CAS号 52463-83-9 分子式 C18H13ClN2O
分子量 308.76200 精确质量 　308.07200
PSA 　32.67000 LogP 　2.65780
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基本信息 安全信息 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
52463-83-9
3D弹球模型：
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分子式：
C18H13ClN2O
分子量：
308.76200
中文名称：
匹那西泮
英文名称：
7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
中文别名：
匹那西泮
英文别名：
7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one;
Pinazepamum [INN-Latin];
EINECS 257-934-9;
Pinazepam (INN);
7-chloro-5-phenyl-1-prop-2-ynyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one;
2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-5-phenyl-1-(2-propynyl);
7-Chlor-1,2-dihydro-1-propargyl-5-phenyl-3H-1,4-benzodiazepin-2-on;
7-chloro-2,3-dihydro-5-phenyl-1-propargyl-1H-1,4-benzodiazepine-2-one;
DEA No. 2883;
7-Chlor-2,3-dihydro-5-phenyl-1-propargyl-1H-1,4-benzodiazepin-2-on;
7-chloro-1,3-dihydro-1(2-propynyl)-2H-1,4-benzodiazepin-2-one;
ZAMI 905;
Pinazepam
精确分子量/精确质量：
308.07200
极性分子表面积/PSA：
32.67000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: MFZOSKPPVCIFMT-UHFFFAOYSA-N

安全信息展开↓

海关代码：
2933910017

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF2375000
CHEMICAL NAME :
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-propynyl)-
CAS REGISTRY NUMBER :
52463-83-9
BEILSTEIN REFERENCE NO. :
0758533
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C18-H13-Cl-N2-O
MOLECULAR WEIGHT :
308.78
WISWESSER LINE NOTATION :
T67 GNV JN IHJ CG G2UU1 JR

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 :
5819 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,934,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
622 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,934,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1302 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4313943
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
266 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,934,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
494 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,934,1975

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