4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
- 中文别名：阿米哌隆
- 中文释义：阿米哌隆;甲酰胺哌丁酮
- 英文别名：4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide;
Amiperone;
4-(4-chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-piperidine-4-carboxylic acid dimethylamide;
R 2962;
Paraperidine;
Paraperidide;
Amiperona [INN-Spanish];
Amiperonum [INN-Latin]
- CAS No.：1580-71-8
- 分子式：
C24H28ClFN2O2
- 分子量：430.18
- 精确分子量：430.18200
- PSA：40.62000
- InChI：The Key: WMVSIGOLIQMRHF-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.192g/cm3
- 沸点：
- 578.8ºC at 760mmHg
- 闪点：
- 303.8ºC
- 折射率：
- 1.56
- 蒸汽压：
- 2.16E-13mmHg at 25°C
安全信息
- 密度：
- 1.192g/cm3
- 沸点：
- 578.8ºC at 760mmHg
- 闪点：
- 303.8ºC
- 折射率：
- 1.56
- 蒸汽压：
- 2.16E-13mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NS4970000
- CHEMICAL NAME :
- Isonipecotamide, 4-(p-chlorophenyl)-1-(3-(p-fluorobenzoyl)propyl)-N,N- dimethyl-
- CAS REGISTRY NUMBER :
- 1580-71-8
- BEILSTEIN REFERENCE NO. :
- 0501454
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C24-H28-Cl-F-N2-O2
- MOLECULAR WEIGHT :
- 430.99
- WISWESSER LINE NOTATION :
- T6NTJ A3VR DF& DVN1&1 DR DG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,184,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,184,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 29 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,184,1972 *** REVIEWS *** TOXICOLOGY REVIEW MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(2),199,1967
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:0
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:40.6
7.重原子数量:30
8.表面电荷:0
9.复杂度:576
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
