126-12-5

• 常用中文名：ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate,dihydrochloride
• 常用英文名：ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate,dihydrochloride
• CAS号：126-12-5
• 分子式：C₂₂H₂₉ClN₂O₂
• 分子量：388.93100
• 发布时间：2017-08-21 09:58:58
• 更新时间：2024-01-12 09:55:05

名称

• 英文名: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate,dihydrochloride
• 英文别名: Leritine dihydrochloride; Anileridine dihydrochloride; 1-(4-Amino-phenaethyl)-4-phenyl-piperidin-4-carbonsaeure-aethylester,Dihydrochlorid; Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate dihydrochloride; Anileridine HCl; 1-(4-amino-phenethyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester,dihydrochloride; Anileridine hydrochloride; EINECS 204-770-0; Ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate dihydrochloride; Aldine; ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride

物化性质

• 沸点: 491.5ºC at 760mmHg
• 熔点: 83ºC
• 分子式: C₂₂H₂₉ClN₂O₂
• 分子量: 388.93100
• 闪点: 251.1ºC
• 精确质量: 388.19200
• PSA: 55.56000
• LogP: 4.72930
• 蒸汽压: 8.31E-10mmHg at 25°C
• 储存条件:

  通风低温干燥处。

• 计算化学:

  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

毒性和生态

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。 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

安全

• 危险品运输编码: UN 1544
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933399090

海关

海关编码	2933399090
中文概述	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
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%