156547-62-5 (沙丁胺醇杂质B,Ethanone,2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-)

CAS号:
156547-62-5
中文名称:
沙丁胺醇杂质B
英文名称:
Ethanone,2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-
分子式:
C13H19NO3
分子量:
237.294863939285

沙丁胺醇杂质B(156547-62-5)名称与标识符

名称

中文别名:
沙丁胺醇EP杂质J;沙丁胺醇相关物质B;沙丁胺醇相关物质B USP标准品;沙丁胺醇杂质B;沙丁胺酮;
英文别名:
Ethanone,2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-;2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;2-TERT-BUTYLAMINO-1-(4-HYDROXY-3-HYDROXYMETHYLPHENYL)-ETHANONE;2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone,Salbutamon;Salbutamon;Albuterol Related CoMpound B;2-[(1,1-DIMETHYLETHYL) AMINO]-1-[4-OH-3-(HYDROXYMETHYL)PHENYL]ETHAN-1-ONE;2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;Albuterol sulfate iMpurity: 2-[(1,1-diMethylethyl) aMino]-1-[4-OH-3-(hydroxyMethyl)phenyl]ethan- 1-one;Albuterol Related Compound B (10 mg) (2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone);SALBUTAMOL EP IMPURITY J HCL;2-[(1,1-Dimethylethyl)amino]-1-[4-oh-3-(hydroxymethyl)phenyl]ethan-1-one;UNII-T0IO19163J;DTXSID60166095;Albuterone;SCHEMBL6698305;2-[(1,1-dimethylethyl) amino]-1-[4-OH-3-(hydroxymethyl)phenyl]ethan- 1-one;Salbutamol Impurity J;Ethanone, 2-[(1,1-dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-;156547-62-5;SALBUTAMOL SULFATE IMPURITY J (EP IMPURITY);2-(t-butylamino)-1-(4-hydroxyl-3-hydroxymethylphenyl)ethanone;Q27289506;2-((1,1-Dimethylethyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone;Ethanone, 2-((1,1-dimethylethyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)-;Salbutamol sulfate impurity J;Salbutamone;Salbutamol sulfate impurity J [EP];SALBUTAMOL IMPURITY J (EP IMPURITY);SALBUTAMOL IMPURITY J [EP IMPURITY];SALBUTAMOL SULFATE IMPURITY J [EP IMPURITY];BCP34245;T0IO19163J;SALBUTAMOLEPIMPURITYJHCL;Salbutamol impurity J [EP];DTXCID1088586;G87830;2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethan-1-one;STL454196;SALBUTAMOL EP IMPURITY J;

标识符

InChIKey:
WHJAFZHZZCVHJI-UHFFFAOYSA-N
Inchi:
1S/C13H19NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,14-16H,7-8H2,1-3H3
SMILES:
O=C(C1C=CC(=C(CO)C=1)O)CNC(C)(C)C

沙丁胺醇杂质B(156547-62-5)物化性质

实验特性

  • LogP : 1.84620
  • PSA : 69.56000

计算特性

  • 精确分子量 : 237.13600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 237.13649347g/mol
  • 重原子数量 : 17
  • 复杂度 : 260
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 拓扑分子极性表面积 : 69.6Ų

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