溴甲辛托品

溴甲辛托品 基本信息
CAS号 80-50-2 分子式 C17H32NO2.Br
分子量 362.35273 精确质量 　361.16164
PSA 　174.31000 LogP 　-1.90540
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目录
基本信息 物化性质 安全信息 毒性

基本信息 展开↓

CAS号：
80-50-2
3D弹球模型：
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分子式：
C17H32NO2.Br
分子量：
362.35273
中文名称：
溴甲辛托品
英文名称：
8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, bromide, (3-endo)-
中文别名：
溴甲辛托品;
O-乙酰基-L-肉碱盐酸盐;
甲溴辛托品
英文别名：
8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, bromide, (3-endo)-;
1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, 2-propylvalerate (8CI);
8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, bromide, endo-;
8-Methyltropinium bromide, 2-propylvalerate (6CI,7CI);
8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide;
8-Methyltropinium bromide 2-propylpentanoate;
Anisotropine methobromide;
Anisotropine methylbromide;
Lytispasm;
Octatropine methylbromide;
Valpin;
Valpin 50;
Vapin
精确分子量/精确质量：
361.16164
极性分子表面积/PSA：
174.31000
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。
EINECS：
201-285-6
InChI：
InChI=1/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1

物化性质展开↓

熔点：
329ºC

安全信息展开↓

危险类别码：
R20/21/22
危险标志：
Xn: Harmful;N: Dangerous for the environment;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM3710000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate
CAS REGISTRY NUMBER :
80-50-2
LAST UPDATED :
199504
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C17-H32-N-O2.Br
MOLECULAR WEIGHT :
362.41
WISWESSER LINE NOTATION :
T56 A AKTJ A1 A1 GOVY3&3 &E

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 :
705 mg/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: 6,24,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
850 mg/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: 6,24,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
129 mg/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: 6,24,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 mg/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: 6,24,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,70,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2759 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 197 (estimated) No. of Female Employees: 59 (estimated)
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