CAS: 97240-79-4; ((3As,5Ar,8Ar,8Bs)-2,2,7,7-Tetramethyltetrahydro-3Ah-Bis([1,3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-yl)Methyl Sulfamate

• 英文名称((3As,5Ar,8Ar,8Bs)-2,2,7,7-Tetramethyltetrahydro-3Ah-Bis([1,3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-yl)Methyl Sulfamate
• 中文名称托吡酯
• IUPAC名称((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamate
• 其它别名Topamax; 2,34,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate
• CAS编号97240-79-4
• MFCD编号:MFCD00865320
• EINECS号:619-263-3
• FDA UNII编号:0H73WJJ391
• 分子式:C12H21NO8S
• 分子量:339.37
• 产品CID: 2020580
• 同类组份化合物CAS488127-53-3 (lithium)97240-79-4 (free base)
• 产品分类原料药 → 神经系统用药 → 抗癫痫及抗惊厥药

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N
• InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1…
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点125 °C
• 沸点438.7±55.0 °C at 760 mmHg
• 闪点219.1±31.5 °C
• 密度1.3±0.1 g/cm3
• PH:D23 -34.0° (c = 0.4 in methanol)
• pKa:9.22±0.70(预测)
• PSA:123.92
• LogP:2.97
• 折射率1.497
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性DMSO: ~44 mg/mL
• 外观形态白色固体
• 储存条件2-8°C
• 产品应用托吡酯(97240-79-4)的用途:该药是GABA重摄取抑制剂.用于治疗伴有或不伴继发性全身发作的部分性发作的癫痫患者.
• 性质描述白色细粉末晶体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  生殖毒性 类别2
  生殖毒性 类别1B
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H361 |怀疑对生育能力或胎儿造成损害.
  H360 |可能损害生育能力或胎儿.
• 防范说明P261-P264-P271-P280-P302+P352-P305+P351+P338
• UN编号UN1230 - class 3 - PG 2 - Methanol, solution
• 危险品标志Xi,T,F
• 安全声明26-36-45-36/37-16-7
• 危险类别码36/37/38-39/23/24/25-23/24/25-11
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Topiramate 主要起始原料 Diacetonefructose Chlorosulfate
• 150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonia Solvents: Dichloromethane,Tetrahydrofuran; Rt -> 10 °C; 2 H,0.5 Atm,< 10 °C; 0.5 Atm,10 °C -> 20 °C; > 6 H,20 °C
  标题:Process For Preparation Of Topiramate
  参考文献:China]
  
  106881-35-0 = 97240-79-4
  反应条件:1.1 Reagents: Carbon Solvents: Methanol; 30 Min,20 - 25 °C
  标题:Improved Process For The Preparation Of Topiramate
  参考文献:India]
  
  20880-92-6 = 97240-79-4
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Xylene; -20 - -5 °C1.2 Reagents: Pyridine; -20 - -5 °C; < 10 °C1.3 Reagents: Ammonia Solvents: Tetrahydrofuran; < 0 °C1.4 Solvents: Water; < 10 °C
  标题:Process For The Preparation And Purification Of Topiramate
  参考文献:World Intellectual Property Organization]
  
  150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran
  标题:Preparation Of Chlorosulfate And Sulfamate Derivatives Of 2,3:4,5-Bis-O-(1-Methylethylidene)-β-D-Fructopyranose And (1-Methylcyclohexyl)Methanol
  参考文献:European Patent Organization]
  
  150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran
  标题:Process For The Preparation Of Chlorosulfate And Sulfamate Derivatives Of 2,3:4,5-Bis-O-(1-Methylethylidene)-β-D-Fructopyranose And (1-Methylcyclohexyl)Methanol
  参考文献:United States]
  
  106881-35-0 = 97240-79-4
  反应条件:1.1 Solvents: Isopropanol; 10 Min,Rt; 15 - 20 Min; 1 H
  标题:Procedure For Preparation Of Topiramate
  参考文献:Slovenia]
  
  1017969-58-2 = 97240-79-4
  反应条件:1.1 Reagents: Sodium Iodide,Iron Chloride (Fecl3) Solvents: Ethyl Acetate; 25 °C
  标题:Process For The Preparation Of Topiramate By Reduction Of The Azido-Sulfate With Iron(Iii) Chloride And Sodium Iodide
  参考文献:India]
  
  150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonium Carbonate,Sodium Sulfate Solvents: Acetonitrile,Tetrahydrofuran; 2 H,65 °C
  标题:Synthesis Of Topiramate And Its Analogous
  作者:Hu,Dandan; Fang,Zhijie; Zheng,Baohui; Li,Longxia
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2011 卷标:42(9) 页码:645-647]
  
  106881-35-0 = 97240-79-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetone; > 1 H,7.5 Kg/cm2,Rt
  标题:Process For The Preparation Of Topiramate
  参考文献:India]
  
  20880-92-6 = 97240-79-4
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Toluene; -10 - 10 °C1.2 Reagents: Pyridine Solvents: Toluene; -10 - 10 °C; 1 H,10 - 20 °C1.3 Reagents: Ammonia Solvents: 1,4-Dioxane; 6 H,10 - 20 °C
  标题:Method For The Preparation Of Fructopyranose Sulfamate
  参考文献:Korea]
  
  57-48-7 = 97240-79-4
  反应条件:1.1 Reagents: Zinc Chloride; 2 H,Rt -> 58 °C1.2 Reagents: Imidazole,Sulfuryl Chloride Solvents: Dichloromethane; 0 °C; 2.5 H,0 °C1.3 Reagents: Ammonia Solvents: Ethanol; 6 H,Rt; Rt -> Reflux
  标题:Preparation Method Of High Purity Topiramate Using D-Fructose And Acetone
  参考文献:China]
  
  = 97240-79-4
  反应条件:1.1 Reagents: Hydrazine Solvents: Ethanol; 1 H,Rt
  标题:Efficient Synthesis Of N-Oxysulfonyl Formamidines Through Thionyl Chloride-Promoted Reaction Of Sulfamates With Formamides
  作者:Wusiman,Abudureheman; Hudabaierdi,Ruzeahong
  参考文献:Synthetic Communications 日期:2017 卷标:47(21) 页码:2015-2021]
  
  150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran; 5 - 7 H,20 - 30 °C
  标题:Preparation Of High-Purity Topiramate For Treating Adult Epilepsy
  参考文献:China]
  
  150609-95-3 = 97240-79-4
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Hexane,Water; 6 H,35 °C
  标题:Method For Preparing Topiramate By Using Ammonia Water
  参考文献:China

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 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

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
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