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
- 中文释义：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]
- CAS No.：53179-12-7
- 分子式：C28H28ClF2N3O
- 分子量：495.99100
- 精确分子量：495.18900
- PSA：41.03000
- InChI：The Key: JCZYXTVBWHAWLL-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.275g/cm3
- 折射率：
- 1.601
安全信息
- 密度：
- 1.275g/cm3
- 折射率：
- 1.601
毒理性
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
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
