84-22-0

• 常用中文名：四氢唑啉
• 常用英文名：Tetrahydrozoline
• CAS号：84-22-0
• 分子式：C₁₃H₁₆N₂
• 分子量：200.28000
• 相关类别： 原料药 神经系统用药 拟胆碱药
• 发布时间：2018-08-27 17:43:52
• 更新时间：2024-01-05 10:34:10
• Tetrahydrozoline 是一种有效的甲肾上腺素能 (α-adrenergic) 激动剂,可引起血管收缩。再动物实验模型中,Tetrahydrozoline 可有效缓解结膜充血、眼充血和鼻充血。

名称

• 中文名: 四氢唑林
• 英文名: tetryzoline
• 中文别名: 四氢唑啉; 4,5-二氢-2-(1,2,3,4-四氢-1-萘基)-1H-咪唑
• 英文别名: 2-tetralin-1-yl-4,5-dihydro-1H-imidazole; EINECS 201-522-3; Tetrahydrozolinum; tetrahydrozoline; Tyzanol; 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole; Tetryzoline; Tetryzolin

物化性质

• 密度: 1.2 g/cm3
• 沸点: 393.5ºC at 760 mmHg
• 分子式: C₁₃H₁₆N₂
• 分子量: 200.28000
• 闪点: 191.8ºC
• 精确质量: 200.13100
• PSA: 24.39000
• LogP: 1.87260
• 外观性状: 粉末
• 折射率: 1.656
• 储存条件: -20℃
• 分子结构:

  1、 摩尔折射率：60.91

  2、 摩尔体积（cm³/mol）：165.7

  3、 等张比容（90.2K）：431.4

  4、 表面张力（dyne/cm）：45.9

  5、 极化率（10-24cm3）：24.14

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积24.4

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:259

  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:1

  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: Tetrahydrozoline 是一种有效的甲肾上腺素能 (α-adrenergic) 激动剂,可引起血管收缩。再动物实验模型中,Tetrahydrozoline 可有效缓解结膜充血、眼充血和鼻充血。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
• 参考文献:

  [1]. E Kisilevsky, et al. Anterior and posterior segment vasculopathy associated with long-term use of tetrahydrozoline. CMAJ. 2018 Oct 9;190(40):E1208.

  [2]. Judy Peat, et al.Determination of tetrahydrozoline in urine and blood using gas chromatography-mass spectrometry (GC-MS). Methods Mol Biol

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NJ4525000 CHEMICAL NAME : 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)- CAS REGISTRY NUMBER : 84-22-0 BEILSTEIN REFERENCE NO. : 0011442 LAST UPDATED : 199612 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C13-H16-N2 MOLECULAR WEIGHT : 200.31 WISWESSER LINE NOTATION : L66&TJ G- BT5M CN BUTJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 186 nL/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 2,217,1984 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 150 ug/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - hallucinations, distorted perceptions Behavioral - irritability REFERENCE : AEMED3 Annals of Emergency Medicine. (American College of Emergency Physicians, 1125 Executive Circle, Irving, TX 75038) Volume(issue)/page/year: 20,655,1991 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Human - infant DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression REFERENCE : 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,580,1969 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 375 nL/kg TOXIC EFFECTS : Behavioral - wakefulness Behavioral - somnolence (general depressed activity) REFERENCE : AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 2,217,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 335 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,971,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 116 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,971,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 252 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,971,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 48100 ug/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: -,699,1990

合成路线

107-15-3 ~% 84-22-0

文献：DE1009189 , ; US2731471 , ;

132205-64-2 14034-59-4 ~% 84-22-0

文献：DE1009189 , ; US2731471 , ;

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