3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane,hydrochloride

3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane,hydrochloride 基本信息
CAS号 14008-79-8 分子式 C21H25Cl2NO
分子量 378.33500 精确质量 　377.13100
PSA 　12.47000 LogP 　5.81110
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目录
基本信息 物化性质 安全信息 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
14008-79-8
3D弹球模型：
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分子式：
C21H25Cl2NO
分子量：
378.33500
英文名称：
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane,hydrochloride
英文别名：
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane,hydrochloride;
Clobenztropin-hydrochlorid;
Chlortropbenzyl;
Desipramine hydrochloride;
WY 2149;
SL-6057;
FC-1;
3-CPMT;
Tropine 4-chlorobenzhydryl ether hydrochloride
精确分子量/精确质量：
377.13100
极性分子表面积/PSA：
12.47000
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: FXKCQWIUITUJFU-UHEBOZJGSA-N

物化性质展开↓

沸点：
437.2ºC at 760mmHg
闪点：
218.2ºC
蒸汽压：
7.62E-08mmHg at 25°C

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22
安全说明：
S26
危险标志：
Xn: Harmful;

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  • 14008-79-8

    3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane,hydrochloride

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM3055500
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropane, 3-alpha-((p-chloro-alpha-phenylbenzyl)oxy)-, hydrochloride
CAS REGISTRY NUMBER :
14008-79-8
LAST UPDATED :
199606
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C21-H24-Cl-N-O.Cl-H
MOLECULAR WEIGHT :
378.37

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 :
364 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Behavioral - ataxia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Behavioral - ataxia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
174 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Behavioral - ataxia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Behavioral - ataxia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3120 mg/kg/26W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1560 mg/kg/26W-I
TOXIC EFFECTS :
Behavioral - muscle weakness Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 114,192,1955

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