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佐洛哌隆
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
佐洛哌隆 基本信息
- 中文名称：
- 佐洛哌隆
- 中文别名：
- 佐洛哌隆
- 英文名称：
- 2(3H)-Oxazolone,4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-
- 英文别名：
- 4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one;
2(3H)-Oxazolone,4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl);
Zoloperonum [INN-Latin];
Zoloperone;
4-(4-fluoro-phenyl)-5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one;
4-(p-Fluorophenyl)-5-(2-(4-(o-methoxyphenyl)-1-piperazinyl)ethyl)-4-oxazolin-2-one;
LR 511;
Zoloperona [INN-Spanish];
4-(4-Fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone;
4-p-fluorophenyl-5-N-(N'-o-methoxy-phenyl)piperazinoethyl-4-oxazolin-2-one;
2-oxazolol,4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]
- CAS No.：
- 52867-74-0
- 分 子 式：
- C22H24FN3O3
- 分 子 量：
- 0
- 精确分子量：
- 397.18000
- PSA：
- 61.71000
- InChI：
- The Key: FCMGKQUKZIJJSH-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
佐洛哌隆 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RQ5832380
- CHEMICAL NAME :
- 2(3H)-Oxazolone,
4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-pipera
zinyl)ethyl)-
- CAS REGISTRY NUMBER :
- 52867-74-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C22-H24-F-N3-O3
- MOLECULAR WEIGHT :
- 397.49
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- 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 :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 32,2241,1989
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical
Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1-
1968- Volume(issue)/page/year: 15,485,1977
佐洛哌隆 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）:3.3
2.氢键供体数量:1
3.氢键受体数量:6
4.可旋转化学键数量:6
5.互变异构体数量:2
6.拓扑分子极性表面积:54
7.重原子数量:29
8.表面电荷:0
9.复杂度:598
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
