1H-Isoindole-1,3(2H)-dione,2-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:1)
- 中文别名：9H-芴-9-基甲基 4-氰基哌啶-1-羧酸酯
- 中文释义：9H-芴-9-基甲基 4-氰基哌啶-1-羧酸酯
- 英文别名：2-(2-pyridin-2-ylethyl)isoindole-1,3-dione,hydrochloride;
2-(2-pyridin-2-ylethyl)isoindole-1,3-dione hydrochloride;
WIN 3074;
N-(2-(2-Pyridyl)ethyl)-phthalimide hydrochloride;
Phthalimide,N-(2-(2-pyridyl)ethyl)-,hydrochloride
- CAS No.：97174-79-3
- 分子式：
C15H12N2O2.ClH
- 分子量：0
- 精确分子量：288.06700
- PSA：50.27000
- 分子结构式：
物化性质
- 沸点：
- 419.2ºC at 760mmHg
- 闪点：
- 207.3ºC
安全信息
- 沸点：
- 419.2ºC at 760mmHg
- 闪点：
- 207.3ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TI5638400
- CHEMICAL NAME :
- Phthalimide, N-(2-(2-pyridyl)ethyl)-, hydrochloride
- CAS REGISTRY NUMBER :
- 97174-79-3
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C15-H12-N2-O2.Cl-H
- MOLECULAR WEIGHT :
- 288.75
- WISWESSER LINE NOTATION :
- T56 BVNVJ C2- BT6NJ &GH
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 :
- 860 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 88,142,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 72 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 88,142,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 360 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 88,142,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 88,142,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 88,142,1951
海关数据
中国海关编码：2933399090
- 概述：
- 2933399090. 其他结构含非稠合吡啶环的化合物. 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：
- 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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）:无
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:3
5.互变异构体数量:2
6.拓扑分子极性表面积:50.3
7.重原子数量:20
8.表面电荷:0
9.复杂度:345
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:2
