2-Furanpropanoic acid,tetrahydro-a-(1-naphthalenylmethyl)-,2-(diethylamino)ethyl ester
- 中文别名：萘呋胺
- 中文释义：萘呋胺酯;3-(1-萘基)-2-四氢糠基丙酸2-二乙氨基乙酯;萘呋胺
- 英文别名：2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate;
Naftidrofuryl;
Naftidrofuryl [INN:BAN];
2--3-<1-naphthyl>2-diaethylamino-aethylester>nafronyl;
Naftidrofurylum [INN-Latin];
LS 84;
2-diethylaminoethyl 1-(tetrahydro-2-furyl)-3-(1-naphthyl)propane-2-carboxylate;
2-(Diethylamino)ethyl 3-(naphthalen-1-yl)-2-((tetrahydrofuran-2-yl)methyl)propanoate;
Praxilene;
Naphtidrofuryl;
Dusodril;
Tridus;
3--2--propionsaeure-<3-diethylamino-ethylester>
- CAS No.：31329-57-4
- 分子式：C24H33NO3
- 分子量：383.52
- 精确分子量：383.24600
- PSA：38.77000
- InChI：The Key: KBAFPSLPKGSANY-FGZHOGPDSA-N
- 分子结构式：
物化性质
- 密度：
- 1.079g/cm3
- 熔点：
- 80-83°C
- 沸点：
- 171 °C / 4mmHg
- 闪点：
- 267.3ºC
- 存储条件/存储方法：
- 其它信息：
1.沸点（℃,66.7Pa）190。
2.相对密度（g/mL,23/4℃）：1.0465。
3.折射率：1.5513。
安全信息
- 密度：
- 1.079g/cm3
- 熔点：
- 80-83°C
- 沸点：
- 171 °C / 4mmHg
- 闪点：
- 267.3ºC
- 存储条件/存储方法：
- 其它信息：
1.沸点（℃,66.7Pa）190。
2.相对密度（g/mL,23/4℃）：1.0465。
3.折射率：1.5513。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- LU5800000
- CHEMICAL NAME :
- 2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester
- CAS REGISTRY NUMBER :
- 31329-57-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C24-H33-N-O3
- MOLECULAR WEIGHT :
- 383.58
- WISWESSER LINE NOTATION :
- L66J B1YVO2N2&2&1- BT5OTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1890 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 5,1,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 5,1,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 5,1,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 365 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,291,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 129 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 5,1,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 272 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- GNRIDX Gendai no Rinsho. (Tokyo, Japan) V.1-10, 1967-76(?). Volume(issue)/page/year: 5,1,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 23 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJTXAZ European Journal of Toxicology and Environmental Hygiene. (Paris, France) V.7-9, 1974-76. For publisher information, see TOERD9. Volume(issue)/page/year: 8,188,1975
- 毒理学数据：
急性毒性LD50小鼠(mg/kg)：365口服。
海关数据
中国海关编码：2932190090
- 概述：
- 2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 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
- 摘要/Summary：
- 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：114.22
2、 摩尔体积（cm3/mol）：355.3
3、 等张比容（90.2K）：910.9
4、 表面张力（dyne/cm）：43.2
5、 极化率（10-24cm3）：45.28
计算化学数据
1.疏水参数计算参考值（XlogP）:4.8
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:11
5.互变异构体数量:无
6.拓扑分子极性表面积38.8
7.重原子数量:28
8.表面电荷:0
9.复杂度:465
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:2
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
