CAS: 89268-62-2; 1,1'-(((((1,1-Dioxido-2H-1,2,4,6-Thiatriazine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(Sulfanediyl))Bis(Methylene))Bis(Thiazole-4,2-Diyl))Diguanidine

• 英文名称1,1'-(((((1,1-Dioxido-2H-1,2,4,6-Thiatriazine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(Sulfanediyl))Bis(Methylene))Bis(Thiazole-4,2-Diyl))Diguanidine
• 中文名称法莫替丁相关化合物B
• IUPAC名称1,1'-(((((1,1-dioxido-2H-1,2,4,6-thiatriazine-3,5-diyl)bis(ethane-2,1-diyl))bis(sulfanediyl))bis(methylene))bis(thiazole-4,2-diyl))diguanidine
• 其它别名Famotidine Ep Impurity B; Famotidine Related Compound B; 3,5-Bis[2-[[[2-[(Diaminomethylene)Amino]Thiazol-4-Yl]Methyl]Thio]-Ethyl]-4H-1,2,4,6-Thiatriazine-1,1-Dioxide; Famotidine Related Compound B (25 Mg) (3,5-Bis[2-[[[2-[(Diaminomethylene)Amino]Thiazol-4-Yl]Methyl]Sulphany]Ethyl]-4H-1,2,4,6-Thiatriazine1,1-Dioxide) (As); N,N'''-[(1,1-Dioxido-2H-1,2,4,6-Thiatriazine-3,5-Diyl) Bis(2,1-Ethanediylthiomethylene-4,2-Thiazolediyl)]Bisguanidi; Famotidine Ep Impurity B (Usp Rc B); 2-[4-[2-[5-[2-[[2-(Diaminomethylideneamino)-1,3-Thiazol-4-Yl]Methylsulfanyl]Ethyl]-1,1-Dioxo-4H-1,2,4,6-Thiatriazin-3-Yl]Ethylsulfanylmethyl]-1,3-Thiazol-2-Yl]Guanidine; 3,5-Bis[2-[[[2-[(Diaminomethylene)Amino]Thiazol-4-Yl]Methyl]Sulphanyl]Ethyl]-4H-1,2,4,6-Thiatriazine 1,1-Dioxide
• CAS编号89268-62-2
• MFCD编号:MFCD09840616
• EINECS号:978-480-4
• FDA UNII编号:W954S5W09G
• 分子式:C16H23N11O2S5分子量:561.77
• 产品CID: 1913968
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: NRRXZFHNRLQONH-UHFFFAOYSA-N
• NRRXZFHNRLQONH-UHFFFAOYSA-N
• 计算化学: 氢键受体数12.0氢键供体数5.0可旋转键数12.0

物理性质

• 熔点>140°C (分解)
• 沸点782.835 °C at 760 mmHg
• 闪点427.243 °C
• 密度1.856g/cm3
• pKa:8.82±0.70(预测)
• PSA:335.93
• LogP:3.829
• 折射率1.881
• 蒸汽压0 mmHg at 25 °C
• 溶解性DMSO (Slightly), Methanol (Slightly, Heated)
• 外观形态白色至浅棕色固体
• 储存条件冰箱, 置于惰性气氛下
• 产品应用该化合物用作粪便杂质.

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)
  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
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  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.
• 防范说明P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P501-
• UN编号NONH for all modes of transport
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 76823-94-4 = 89268-62-2
  反应条件:1.1 Reagents: Sulfamide Solvents: Methanol
  标题:Studies On Histamine H2 Receptor Antagonists. 2. Synthesis And Pharmacological Activities Of N-Sulfamoyl And N-Sulfonyl Amidine Derivatives
  作者:Yanagisawa,Isao; Hirata,Yasufumi; Ishii,Yoshio
  参考文献:Journal Of Medicinal Chemistry 日期:1987 卷标:30(10) 页码:1787-93]
  
  76824-35-6 + 100-52-7 = 89268-62-2 + 106433-44-7 + 129083-44-9 + 1994267-84-3 + 90237-03-9 + 76824-16-3 + 124646-10-2 + 107880-74-0
  反应条件:1.1 Solvents: Water; 4 H,80 °C
  标题:Identification,Synthesis,And Characterization Of Unknown Impurity In The Famotidine Powder For Oral Suspension Due To Excipient Interaction By Uplc-Ms/ms And Nmr
  作者:Hotha,Kishore Kumar; Patel,Tejashkumar; Roychowdhury,Swapan; Subramanian,Veerappan
  参考文献:Journal Of Liquid Chromatography & Related Technologies 日期:2015 卷标:38(9) 页码:977-985

海关参考信息

• 2921199090-其他无环单胺
  2930909099-其他有机硫化合物
• 💡 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