2804-00-4

• 常用中文名：罗索哌隆
• 常用英文名：2,8-Diazaspiro[4.5]decane-1,3-dione,8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-
• CAS号：2804-00-4
• 分子式：C₁₉H₂₃FN₂O₃
• 分子量：346.39600
• 发布时间：2018-09-26 09:52:57
• 更新时间：2024-01-10 12:44:21

名称

• 中文名: 罗索哌隆
• 英文名: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
• 英文别名: F-33; Roxoperonum [INN-Latin]; Roxoperon [INN-Spanish]; 8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-2-methyl-2,8-diaza-spiro[4.5]decane-1,3-dione; FR-33; 8-(3-(p-Fluorobenzoyl)propyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione; Roxoperone; R 7158

物化性质

• 密度: 1.26g/cm3
• 沸点: 530.9ºC at 760mmHg
• 分子式: C₁₉H₂₃FN₂O₃
• 分子量: 346.39600
• 闪点: 274.9ºC
• 精确质量: 346.16900
• PSA: 57.69000
• LogP: 2.13530
• 蒸汽压: 2.36E-11mmHg at 25°C
• 折射率: 1.579
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.3

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:5

  5.互变异构体数量:4

  6.拓扑分子极性表面积:57.7

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:535

  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 : HM2650000 CHEMICAL NAME : 2,8-Diazaspiro(4,5)decane-1,3-dione, 8-(3-(p-fluorobenzoyl)propyl)-2-methyl- CAS REGISTRY NUMBER : 2804-00-4 BEILSTEIN REFERENCE NO. : 0763388 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C19-H23-F-N2-O3 MOLECULAR WEIGHT : 346.44 WISWESSER LINE NOTATION : T6N DXTJ A3VR DF& D-& CT5VNVX EHJ A HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 92 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: -,189,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 193 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: -,189,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 90 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: -,189,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 56 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: -,189,1972

安全

• 海关编码: 2933990090

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%