1-Piperidinepropanol, a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenyl-
- 中文别名：比哌立登
- 中文释义：比哌立登;3-哌啶基-1-苯基-双环庚烯基-1-丙醇;碧卜利旦;1-(5-双环[2.2.1]庚-2-烯基)-1-苯基-3-(1-哌啶基)丙-1-醇
- 英文别名：biperiden;
Biperidenum;
Akineton;
1-(5-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;
Beperiden;
Biperideno [INN-Spanish];
Biperidene [INN-French];
Biperidine;
1-norborn-5-en-2-yl-1-phenyl-3-piperidin-1-yl-propan-1-ol;
1-norborn-5-en-2-yl-1-phenyl-3-piperidino-propan-1-ol;
Biperidene;
Biperideno;
Biperidenum [INN-Latin];
1-(5-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-(1-piperidyl)propan-1-ol
- CAS No.：514-65-8
- 分子式：
C21H29NO
- 分子量：311.46
- 精确分子量：311.22500
- PSA：23.47000
- InChI：InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,13-16-22-14-5-2-6-15-22)20-11-9-18(17-20)10-12-20/h1,3-4,7-9,11,18,23H,2,5-6,10,12-17H2
- 分子结构式：
物化性质
- 密度：
- 1.105g/cm3
- 熔点：
- 114ºC
- 沸点：
- 462.1ºC at 760mmHg
- 闪点：
- 224.5ºC
- 水溶解性：
- 25.1 mg/L
- 折射率：
- 1.595
- 存储条件/存储方法：
- 通风低温干燥
安全信息
- 密度：
- 1.105g/cm3
- 熔点：
- 114ºC
- 沸点：
- 462.1ºC at 760mmHg
- 闪点：
- 224.5ºC
- 水溶解性：
- 25.1 mg/L
- 折射率：
- 1.595
- 存储条件/存储方法：
- 通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TN3675000
- CHEMICAL NAME :
- 1-Piperidinepropanol, alpha-5-norbornen-2-yl-alpha-phenyl-
- CAS REGISTRY NUMBER :
- 514-65-8
- BEILSTEIN REFERENCE NO. :
- 0290038
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C21-H29-N-O
- MOLECULAR WEIGHT :
- 311.51
- WISWESSER LINE NOTATION :
- L55 A CUTJ FXQR&2- AT6NTJ
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 :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,636,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 530 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,636,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 161 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,636,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 195 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 128,204,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 128,204,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 340 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,636,1982
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:2
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:23.5
7.重原子数量:23
8.表面电荷:0
9.复杂度:422
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:4
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
