4-Piperidinecarboxylicacid, 1-[2-(4-aminophenyl)ethyl]-4-phenyl-, ethyl ester, hydrochloride (1:2)
- 中文别名：盐酸阿尼利定
- 中文释义：盐酸阿尼利定;ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate,dihydrochloride
- 英文别名：ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate,dihydrochloride;
Aldine;
Leritine dihydrochloride;
Anileridine dihydrochloride;
EINECS 204-770-0;
1-(4-Amino-phenaethyl)-4-phenyl-piperidin-4-carbonsaeure-aethylester,Dihydrochlorid;
Ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate dihydrochloride;
Anileridine HCl;
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride;
Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate dihydrochloride;
1-(4-amino-phenethyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester,dihydrochloride;
Anileridine hydrochloride
- CAS No.：126-12-5
- 分子式：C22H28N2O2.2ClH
- 分子量：425.3918
- 精确分子量：388.19200
- PSA：55.56000
- InChI：The Key: UDUQHZSAAWGSPJ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 熔点：
- 83ºC
- 沸点：
- 491.5ºC at 760mmHg
- 闪点：
- 251.1ºC
- 蒸汽压：
- 8.31E-10mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
- 其它信息：
安全信息
- 熔点：
- 83ºC
- 沸点：
- 491.5ºC at 760mmHg
- 闪点：
- 251.1ºC
- 蒸汽压：
- 8.31E-10mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
- 其它信息：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NS5250000
- CHEMICAL NAME :
- Isonipecotic acid, 1-(p-aminophenyl)-4-phenyl-, ethyl ester, dihydrochloride
- CAS REGISTRY NUMBER :
- 126-12-5
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C22-H28-N2-O2.2Cl-H
- MOLECULAR WEIGHT :
- 425.44
- WISWESSER LINE NOTATION :
- T6NTJ A2R DZ& DVO2 DR
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 :
- 175 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 205 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 229 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,26,1957
- 毒理学数据：
口服-大鼠LD50: 175 毫克/公斤; 口服-小鼠LD50: 128 毫克/公斤。
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:3
3.氢键受体数量:4
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55.6
7.重原子数量:28
8.表面电荷:0
9.复杂度:431
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:3
