苯他西泮

苯他西泮 基本信息
CAS号 29462-18-8 分子式 C17H16N2OS
分子量 296.38700 精确质量  296.09800
PSA  69.70000 LogP  2.99000

基本信息 展开↓

CAS号:
29462-18-8
3D弹球模型:
立即前往扯扯看
分子式:
C17H16N2OS
分子量:
296.38700
中文名称:
苯他西泮
英文名称:
5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
中文别名:
苯他西泮
英文别名:
5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzothiolo[2,3-e][1,4]diazepin-2-one;
Bentazepam;
CI-718;
Tiadipone;
Thiadipone;
1,3,6,7,8,9-Hexahydro-5-phenyl-2H-(1)benzothieno(2,3-e)-1,4-diazepin-2-one;
QM-6008;
5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one;
Bentazepamum [INN-Latin];
2H-(1)BENZOTHIENO(2,3-e)-1,4-DIAZEPIN-2-ONE,1,3,6,7,8,9-HEXAHYDRO-5-PHENYL
精确分子量/精确质量:
296.09800
极性分子表面积/PSA:
69.70000
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: AIZFEOPQVZBNGH-UHFFFAOYSA-N

物化性质展开↓

密度:
1.38g/cm3
沸点:
532.6ºC at 760 mmHg
闪点:
275.9ºC
折射率:
1.733
蒸汽压:
2E-11mmHg at 25°C
存储条件/存储方法:
通风低温干燥

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8230000
CHEMICAL NAME :
2H-(1)Benzothieno(2,3-e)-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-
CAS REGISTRY NUMBER :
29462-18-8
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C17-H16-N2-O-S
MOLECULAR WEIGHT :
296.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
129 mg/kg/17W-I
TOXIC EFFECTS :
Behavioral - anorexia (human) Behavioral - muscle weakness Liver - liver function tests impaired
REFERENCE :
LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 343,860,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/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: 25,926,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
980 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: 25,926,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 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: 25,926,1975

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