72-69-5

• 常用中文名：去甲替林
• 常用英文名：Nortriptyline
• CAS号：72-69-5
• 分子式：C₁₉H₂₁N
• 分子量：263.37700
• 相关类别： 原料药 神经系统用药 抗抑郁、躁狂药
• 发布时间：2018-05-18 08:00:00
• 更新时间：2024-01-04 12:04:13
• 去甲替林(去甲基阿米替林)是阿米替林的主要活性代谢产物,是一种用于缓解抑郁症症状的三环类抗抑郁药。去甲替林是一种有效的自噬抑制剂[1][2]。

名称

• 中文名: 去甲替林
• 英文名: nortriptyline
• 英文别名: Sesaval; Lumbeck; NORTRIPTYLINE; Ateben; noramitriptyline; Noritren; allegron; [14C]-Nortriptyline; desmethylamitriptyline; lambeck; EINECS 200-788-8; Aventyl; Psychostyl; notriptyline; Avantyl

物化性质

• 密度: 1.084 g/cm3
• 沸点: 403.4ºC at 760 mmHg
• 分子式: C₁₉H₂₁N
• 分子量: 263.37700
• 闪点: 194.9ºC
• 精确质量: 263.16700
• PSA: 12.03000
• LogP: 4.21730
• 外观性状: 白色固体
• 折射率: 1.633
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：86.76

  2、 摩尔体积（m³/mol）：242.8

  3、 等张比容（90.2K）：636.9

  4、 表面张力（dyne/cm）：47.3

  5、 极化率（10 ^-24cm ³）：34.39

• 计算化学:

  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:1

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积12

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:307

  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

生物活性

• 描述: 去甲替林(去甲基阿米替林)是阿米替林的主要活性代谢产物,是一种用于缓解抑郁症症状的三环类抗抑郁药。去甲替林是一种有效的自噬抑制剂[1][2]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 自噬 >> 自噬
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Dean L. Amitriptyline Therapy and CYP2D6 and CYP2C19 Genotype. In: Pratt VM, Scott SA, Pirmohamed M, et al., eds. Medical Genetics Summaries. Bethesda (MD): National Center for Biotechnology Information (US); March 23, 2017.

  [2]. Petrosyan E, et al. Repurposing Autophagy Regulators in Brain Tumors [published online ahead of print, 2022 Feb 18]. Int J Cancer. 2022;10.1002/ijc.33965.

毒性和生态

毒理学数据: 急性毒性：大鼠口经LD50：502 mg/kg；大鼠静脉LD50：22 mg/kg； 小鼠口经LD50：370 mg/kg；小鼠腹腔LD50：70 mg/kg；小鼠静脉LD50：17 mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : HO9800000 CHEMICAL NAME : 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl- CAS REGISTRY NUMBER : 72-69-5 LAST UPDATED : 199707 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C19-H21-N MOLECULAR WEIGHT : 263.41 WISWESSER LINE NOTATION : L C676 BY&T&J BU3M1 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 : 502 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity REFERENCE : HEPHD2 Handbook of Experimental Pharmacology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.50- 1978- Volume(issue)/page/year: 55,527,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 22 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity REFERENCE : HEPHD2 Handbook of Experimental Pharmacology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.50- 1978- Volume(issue)/page/year: 55,527,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 370 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 20,1561,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 70 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,338,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 17 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,65,1974 *** REVIEWS *** TOXICOLOGY REVIEW DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 8,690,1974 TOXICOLOGY REVIEW CLCHAU Clinical Chemistry (Winston-Salem, NC). (American Assoc. for Clinical Chemistry, 1725 K St., NW, Washington, DC 20006) V.1- 1955- Volume(issue)/page/year: 19,361,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4842 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2440 (estimated) No. of Female Employees: 1459 (estimated)

安全

• 海关编码: 2921499090

合成路线

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海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%