5-24-07-00315 (Beilstein Handbook Reference)
- 中文别名：罗索哌隆
- 中文释义：罗索哌隆
- 英文别名：8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;
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
- CAS No.：2804-00-4
- 分子式：
C19H23FN2O3
- 分子量：0
- 精确分子量：346.16900
- PSA：57.69000
- InChI：The Key: YJPFLFAWBYRCEH-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.26g/cm3
- 沸点：
- 530.9ºC at 760mmHg
- 闪点：
- 274.9ºC
- 折射率：
- 1.579
- 蒸汽压：
- 2.36E-11mmHg at 25°C
安全信息
- 密度：
- 1.26g/cm3
- 沸点：
- 530.9ºC at 760mmHg
- 闪点：
- 274.9ºC
- 折射率：
- 1.579
- 蒸汽压：
- 2.36E-11mmHg at 25°C
毒理性
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
海关数据
中国海关编码：2933990090
- 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
- 摘要/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%
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）: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
