CAS: 79307-93-0; 4-(4-Chlorobenzyl)-2-(1-Methylazepan-4-yl)Phthalazin-1(2H)-One Hydrochloride

• 英文名称4-(4-Chlorobenzyl)-2-(1-Methylazepan-4-yl)Phthalazin-1(2H)-One Hydrochloride
• 中文名称盐酸氮卓斯汀
• IUPAC名称4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one hydrochloride
• 其它别名4-[(4-Chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-phthalazin-1-one hydr°Chloride
• CAS编号79307-93-0
• MFCD编号:MFCD00242783
• EINECS号:620-469-0
• 分子式:C22H25Cl2N3O
• 分子量:418.36
• 产品CID: 1787650
• 同类组份化合物CAS79307-93-0 (HCl)143228-85-7 (S-isomer)143228-84-6 (R-isomer)153408-27-6 (S-isomer HCl)153408-28-7 (R-isomer HCl)
• 产品分类原料药 → 抗变态反应药 → 抗组胺药

• 相似结构搜索
• 产品信息参考;
• InChIKey: YEJAJYAHJQIWNU-UHFFFAOYNA-N
• InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点225-229 °C
• 沸点533.9 °C at 760 mmHg
• 闪点276.7 °C
• 密度1.25 g/cm3
• PSA:38.13
• LogP:5.0374
• 溶解性DMSO: >10mg/mL
• 敏感性Incompatible with strong oxidizing agents.
• 外观形态白色至类白色粉末
• 储存条件惰性气氛,存放于冰箱中, -20°C
• 产品应用该化合物是一种强效和选择性的H1-受体对抗物,其抗过敏效应与对胺对抗有关,还有与H1受体结合无关的进一步抗过灵和抗炎效应.甲状体HCL是NF-KB活性器的活性体.在一项研究中使用了甲状物盐酸,以调查聚合微球治疗过敏结膜炎的潜力.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  生殖毒性 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  水生慢性毒性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H361 |怀疑对生育能力或胎儿造成损害.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P301+P312+P330
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明Azelastine competes with histamine for the H1-receptor sites on effector cells and acts as an antagonist by inhibiting the release of histamine and other mediators involved in the allergic response.
• 危险类别码22

欧盟法规

上下游产品

合成工艺路线路线简述

• 19065-49-7 + 53242-88-9 = 79307-93-0
  反应条件:1.1 Reagents: Triphenylphosphine,Diethyl Azodicarboxylate Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Isopropanol,Water
  标题:Process For Producing Antihistaminic Benzylphthalazinone Derivatives And Salts Thereof Via Condensation Reaction With Homopiperazinols
  参考文献:European Patent Organization]
  
  159984-95-9 = 79307-93-0
  反应条件:1.1 Solvents: 1,2-Dichlorobenzene1.2 Reagents: Hydrochloric Acid Solvents: Isopropanol
  标题:Preparation Of Azelastine From 2-(N-Methylpyrrolidin-2-Yl)Ethoxyphthalazone Derivative
  参考文献:Japan]
  
  117078-69-0 + 53242-76-5 = 79307-93-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Reflux1.2 Reagents: Potassium Hydroxide Solvents: Methanol; 3 H,Ph 6.8 - 7.0,Reflux1.3 Reagents: Hydrochloric Acid
  标题:Synthesis Of Azelastine Hydrochloride
  作者:Cao,Rihui; Zhong,Qinghua; Peng,Wenlie; Xu,Anlong
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2003 卷标:34(1) 页码:1-3]
  
  169123-29-9 + 178204-52-9 = 79307-93-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Method For Producing Antiallergic 4-[(4-Chlorophenyl)Methyl]-2-(Hexahydro-1-Methyl-1H-Azepin-4-Yl)-1(2H)-Phthalazinone And Its Acid Addition Salt
  参考文献:Japan]
  
  103541-65-7 = 79307-93-0
  反应条件:1.1 Solvents: Methanol1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
  标题:Preparation Of Antihistaminic 4-(Substituted Benzyl)-2-(N-Substituted Hexahydroazepinyl)-1(2H)-Phthalazinones
  参考文献:Japan

海关参考信息

• 2902300000-甲苯
  2903919090-氯苯
  2903991000-对氯甲苯
  2921199090-其他无环单胺
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管