1-Piperidinebutanamide,4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-a,a-diphenyl-
- 中文别名：洛哌丁胺
- 中文释义：洛哌丁胺;4-对氯苯-4-羟基-N,N-二甲基-α,α-二苯-1-对哌啶基丁酰胺;4-[4-(4-氯苯基)-4-羟基哌啶-1-基]-N,N-二甲基-2,2-二苯基丁酰胺;4-(4-氯苯基)-4-羟基-N,N-二甲基-Α,Α-二苯基-1-哌啶丁酰胺;氯苯哌丁胺
- 英文别名：loperamide;
[3H]-Loperamide;
Kaopectate II;
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;
Apo-Loperamide;
Imodium;
Nu-Loperamide;
Ioperamide;
Loperacap;
Loperamida;
Maalox Anti-Diarrheal;
4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide;
Loperamidum
- CAS No.：53179-11-6
- 分子式：
C29H33ClN2O2
- 分子量：477.04
- 精确分子量：476.22300
- PSA：43.78000
- InChI：The Key: RDOIQAHITMMDAJ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.187g/cm3
- 沸点：
- 647.2ºC at 760 mmHg
- 闪点：
- 345.2ºC
- 折射率：
- 1.6
- 其它信息：
1.性状：从异丙醇结晶
2.熔点：222~223
安全信息
- 密度：
- 1.187g/cm3
- 沸点：
- 647.2ºC at 760 mmHg
- 闪点：
- 345.2ºC
- 折射率：
- 1.6
- 其它信息：
1.性状：从异丙醇结晶
2.熔点：222~223
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM4959000
- CHEMICAL NAME :
- 1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha -diphenyl-
- CAS REGISTRY NUMBER :
- 53179-11-6
- BEILSTEIN REFERENCE NO. :
- 1558273
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C29-H33-Cl-N2-O2
- MOLECULAR WEIGHT :
- 477.09
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 :
- 98 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 8,279,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5100 ug/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 105 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 28 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 75 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 2800 ug/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 42 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 3,461,1981
- 毒理学数据：
急性毒性。小鼠(mg/kg)：75皮下注射；105口服。急性毒性LD50大鼠(mg/kg)：185口服。
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：137.52
2、 摩尔体积（cm3/mol）：401.6
3、 等张比容（90.2K）：1067.1
4、 表面张力（dyne/cm）：49.8
5、 极化率（10-24cm3）：54.51
计算化学数据
1.疏水参数计算参考值（XlogP）:5
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:7
5.互变异构体数量:无
6.拓扑分子极性表面积43.8
7.重原子数量:34
8.表面电荷:0
9.复杂度:623
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
