1580-71-8

• 常用中文名：阿米哌隆
• 常用英文名：4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
• CAS号：1580-71-8
• 分子式：C₂₄H₂₈ClFN₂O₂
• 分子量：430.94300
• 发布时间：2018-08-28 09:12:06
• 更新时间：2024-01-11 22:07:31

名称

• 中文名: 阿米哌隆
• 英文名: 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide
• 英文别名: 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]

物化性质

• 密度: 1.192g/cm3
• 沸点: 578.8ºC at 760mmHg
• 分子式: C₂₄H₂₈ClFN₂O₂
• 分子量: 430.94300
• 闪点: 303.8ºC
• 精确质量: 430.18200
• PSA: 40.62000
• LogP: 4.50190
• 蒸汽压: 2.16E-13mmHg at 25°C
• 折射率: 1.56
• 计算化学:

  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

毒性和生态

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