CAS: 79350-10-0; (6R,7R)-7-(2-(2-Aminothiazol-4-yl)Acetamido)-8-Oxo-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

• 英文名称(6R,7R)-7-(2-(2-Aminothiazol-4-yl)Acetamido)-8-Oxo-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• 中文名称头孢地尼杂质B
• IUPAC名称(6R,7R)-7-(2-(2-aminothiazol-4-yl)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 其它别名Cefdinir Related Compound B (10 Mg) ((6R,7R)-7-[2-(2-Amino-4-Thiazolyl)Acetamido]-8-Oxo-3-Vinyl-5-Thia-1-Azabicyclo[4,2,0]Oct-2-Ene-2-Carboxylic Acid); (6R,7R)-7-[2-(2-Amino-4-Thiazolyl)Acetamido]-8-Oxo-3-Vinyl-5-Thia-1-Azabicyclo[4,2,0]Oct-2-Ene-2-Carboxylic Acid; Cefdinir Related Compound B; (6R,7R)-7-(2-(2-Aminothiazol-4-yl)Acetamido)-8-Oxo-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; Cefdinir Usp Rc B; Cefdinir Impurity 14; (6R-Trans)-7-[[(2-Amino-4-Thiazolyl)Acetyl]Amino]-3-Ethenyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 7-[(2-Aminothiazol-4-yl)Acetamido]-3-Vinyl-3-Cephem-4-Carboxylic Acid
• CAS编号79350-10-0
• MFCD编号:MFCD28900274
• FDA UNII编号:VPE6YB7J69
• 分子式:C14H14N4O4S2分子量:366.42
• 产品CID: 1787868
• 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: SGWIRMONYCAJIS-BXKDBHETSA-N
• InChI=1S/C14H14N4O4S2/c1-2-6-4-23-12-9(11(20)18(12)10(6)13(21)22)17-8(19)3-7-5-24-14(15)16-7/h2,5,9,12H,1,3-4H2,(H2,15,16)(H,17,19)(H,21,22)/t9-,12-/m1/s1
• 计算化学: 氢键受体数8.0氢键供体数3.0可旋转键数5.0

物理性质

• 熔点>220°C (分解)
• 沸点840.7±65.0 °C(预测)
• 密度1.62±0.1 g/cm3(预测)
• pKa:2.81±0.50(预测)
• PSA:179.16
• LogP:1.1024
• 溶解性DMSO (Slightly)
• 外观形态浅米色固体
• 储存条件-20°C 冰箱, 在惰性气其中
• 产品应用该化合物用于治疗由几种克格外阴性和克外阳性细菌引起的感染.

MSDS等安全信息

• UN编号NONH for all modes of transport

上下游产品

合成工艺路线路线简述

• 115385-02-9 + 79349-82-9 = 79350-10-0
  反应条件:1.1 Reagents: N,N′-Bis(Trimethylsilyl)Urea Solvents: Dimethylformamide1.2 Reagents: Pyridine1.3 Reagents: Water Solvents: Dichloromethane1.4 Reagents: Formic Acid
  标题:Oral Absorption Of Cephalosporin Antibiotics. 1. Synthesis,Biological Properties And Oral Bioavailability Of 7-Arylacetamido-3-Chloro Cephalosporins In Animals
  作者:Kukolja,Stjepan; Wright,Walter E.; Quay,John F.; Pfeil-Doyle,Janice; Draheim,Susan E.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1988 卷标:31(10) 页码:1987-93

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2901241000-1,3-丁二烯
  2912110000-甲醛
• 💡 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