CAS: 95789-30-3; Cefotiam Hexetil Dihydrochloride

• 英文名称Cefotiam Hexetil Dihydrochloride
• 中文名称头孢替安海替酯盐酸盐
• IUPAC名称5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, dihydrochloride, (6R-(6-alpha,7-beta))-
• 其它别名5-Thia-1-azabicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester, dihydr°Chloride, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester, dihydr°Chloride, [6R-(6α,7β)]-; cefotiam hexetil hydr°Chloride; 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]°Ct-2-ene-2-carboxylate dihydr°Chloride; (6R-(6-alpha,7-beta))-7-(((2-Amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester dihydr°Chloride
• CAS编号95789-30-3
• MFCD编号:MFCD00897074
• EINECS号:680-797-5
• FDA UNII编号:3N1X7E8CLE
• 分子式:C27H38ClN9O7S3
• 分子量:732.29
• 产品CID: 2012320
• 同类组份化合物CAS95761-91-4 (free base)95789-30-3 (HCl)
• 产品分类原料药 → 抗生素类药物 → 头孢菌素类药

• 相似结构搜索
• InChIKey: HXCPCXZEHGGNIV-UCYVGVNQSA-N
• 1S/C27H37N9O7S3.ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37…
• 计算化学: 氢键受体数16.0氢键供体数3.0可旋转键数17.0

物理性质

• 熔点120-130 °C
• 闪点546.9 °C
• 密度1.8±0.1 g/cm3
• PSA:275.83
• LogP:0.24
• 折射率1.855
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至淡黄色固体
• 储存条件防潮, -20°C 冰箱, 在惰性气其中
• 产品应用该化合物是一种用于邻产的乙型乙型苯丙胺的酯类预药; 丙酰乙型氨酯是一种半合成,乙-林丹甲状腺素抗生素,具有抗菌活性; 乙硫氨乙酰戊硫磷是一种用于口服的乙酰苯丙氨的药物; 戊硫氨丙酰丙酰戊酸酯是一种治疗上层消化道慢性感染的急性和急性的强效药物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别呼吸道致敏 类别1
  皮肤致敏 类别1
• 警示词Danger(危险)
• 危险描述H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H317 |可能引起皮肤过敏反应.
• 防范说明P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
• 危险品标志N
• 安全声明H303+H313+H333

欧盟法规

合成工艺路线路线简述

• 99464-83-2 + 61622-34-2 = 95789-30-3
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Acetonitrile; 100 Min,50 °C1.2 Reagents: Potassium Carbonate Solvents: Acetone,Water; 40 Min,28 °C1.3 Solvents: Dichloromethane; 20 Min,-5 °C
  标题:Method For Preparing And Purifying Cefotiam Hexetil Hydrochloride
  参考文献:China]
  
  99464-83-2 + 66309-69-1 = 95789-30-3
  反应条件:1.1 Reagents: Sodium Iodide; 1.2 H; Rt -> 60 °C1.2 Reagents: Triethylamine; 15 Min,Reflux1.3 Reagents: Hydrochloric Acid; Ph 1 - 2,50 - 80 °C; 80 °C -> -25 °C
  标题:One-Pot Method For Preparing Cefotiam Hexetil Hydrochloride
  参考文献:China]
  
  95761-91-4 = 95789-30-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 1 - 5 °C; 1 H,0 - 5 °C
  标题:Method For Synthesis Of Low-Solvent-Residue Cefotiam Hexetil Hydrochloride
  参考文献:China]
  
  102672-57-1 = 95789-30-3
  反应条件:1.1 Solvents: Dimethylformamide; 0.5 H,-20 - -15 °C1.2 Reagents: Sodium Pyrosulfite Solvents: Ethyl Acetate,Water; 20 Min1.3 Reagents: Hydrochloric Acid Solvents: Water; 5 Min,0 °C
  标题:Method For Preparation Of Cefotiam Hexetil Hydrochloride With Cefotiam Hydrochloride
  参考文献:China]
  
  102672-57-1 + 66309-69-1 = 95789-30-3
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; 1 H,Rt1.2 Solvents: Dimethylformamide; 12 Min,10 °C; Cooled1.3 Reagents: Hydrochloric Acid Solvents: Acetone,Water; 15 °C; 40 Min,15 °C; 25 Min,15 °C
  标题:Method For Preparing Cefotiam Hexetil Hydrochloride From Cefotiam Salt
  参考文献:China]
  
  102672-57-1 = 95789-30-3
  反应条件:1.1 Solvents: Dimethylformamide; 60 Min,-15 - -10 °C1.2 Reagents: Hydrochloric Acid Solvents: Isopropanol,Ethyl Acetate; -10 - -5 °C
  标题:Method For Preparing Cefotiam Hexetil
  参考文献:China

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2909110000-乙醚
• 💡 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

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