cas号： 53179-12-7 ，名称：氯哌唑酮的性质/作用/用途-化学加百科

氯哌唑酮

氯哌唑酮基本信息
CAS号	53179-12-7	分子式	C28H28ClF2N3O
分子量	495.99100	精确质量	495.18900
PSA	41.03000	LogP	6.44830

我要卖该产品我要定制合成该产品

充值推广查看更多供应商

基本信息物化性质合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 53179-12-7
3D弹球模型：: 立即前往扯扯看
分子式：: C28H28ClF2N3O
分子量：: 495.99100
中文名称：: 氯哌唑酮
英文名称：: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
中文别名：: 氯哌唑酮;
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
英文别名：: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one;
5-Chlor-1-(1-4,4-bis(p-fluorphenyl)-butyl)-4-piperidyl)-2-benzimidazolinon;
Clopimozida [INN-Spanish];
R 29,764;
5-chloro-1{1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl}-2-benzimidazolinone;
Clopimozide [USAN:INN];
1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-5-chloro-1,3-dihydro-benzoimidazol-2-one;
Clopimozide;
Clopimozidum [INN-Latin]
精确分子量/精确质量：: 495.18900
极性分子表面积/PSA：: 41.03000
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: JCZYXTVBWHAWLL-UHFFFAOYSA-N

物化性质展开↓

密度：: 1.275g/cm3
折射率：: 1.601

合成路线查看所有的合成路线

20651-65-4

1-丁基-4-氟苯
+
53786-28-0

5-氯-1,3-二氢-1-(4-哌啶基)-2H-苯并咪唑-2-酮
→
53179-12-7

氯哌唑酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE2275800

CHEMICAL NAME :: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-pip eridinyl)- 5-chloro-

CAS REGISTRY NUMBER :: 53179-12-7

BEILSTEIN REFERENCE NO. :: 0904611

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C28-H28-Cl-F2-N3-O

MOLECULAR WEIGHT :: 496.04

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 320 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 170 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975

分子结构与计算化学数据展开↓

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:7

5.互变异构体数量:2

6.拓扑分子极性表面积:35.6

7.重原子数量:35

8.表面电荷:0

9.复杂度:668

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

上下游相关产品

上游产品

20651-65-4

1-丁基-4-氟苯
53786-28-0

5-氯-1,3-二氢-1-(4-哌啶基)-2H-苯并咪唑-2-酮