苄替啶
- 中文名称：
- 苄替啶
- 中文别名：
- 苄替啶;
苄醚度冷丁
- 英文名称：
- Benzethidine
- 英文别名：
- ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate;
1-(2-benzyloxy-ethyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester;
Benzetidina [INN-Spanish];
Ethyl 1-(2-benzyloxyethyl)-4-phenylpiperidine-4-carboxylate;
NIH 7574;
DEA No. 9606;
Benzethidin;
1-(2-Benzyloxy-ethyl)-4-phenyl-4-ethoxycarbonyl-piperidin;
1-(2-Benzyloxy-aethyl)-4-phenyl-piperidin-4-carbonsaeure-aethylester;
BENZETHIDINE;
Benzethidinum [INN-Latin];
Benzethidine [INN:BAN:DCF]
- CAS No.：
- 3691-78-9
- 分 子 式：
-
C23H29NO3
- 分 子 量：
- 0
- 精确分子量：
- 367.21500
- PSA：
- 38.77000
- InChI：
- The Key: UVTBZAWTRVBTMK-UHFFFAOYSA-N3
- SDS：
- 查看
苄替啶 物化性质
- 密度：
- 1.095 g/cm3
- 沸点：
- 467.8ºC at 760mmHg
- 闪点：
- 236.7ºC
- 折射率：
- 1.549
苄替啶 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NS5265500
- CHEMICAL NAME :
- Isonipecotic acid, 1-(2-(benzyloxy)ethyl)-4-phenyl-,
ethyl ester
- CAS REGISTRY NUMBER :
- 3691-78-9
- BEILSTEIN REFERENCE NO. :
- 0334584
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C23-H29-N-O3
- MOLECULAR WEIGHT :
- 367.53
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 :
- 284 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 15,254,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 15,254,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10900 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 15,254,1960
苄替啶 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:0
3.氢键受体数量:4
4.可旋转化学键数量:9
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:27
8.表面电荷:0
9.复杂度:433
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