624742-53-6 (泮托拉唑钠杂质D与杂质F的混合物,N-Methyl Pantoprazole(Mixture of 1 and 3 isomers))

CAS号:
624742-53-6
中文名称:
泮托拉唑钠杂质D与杂质F的混合物
英文名称:
N-Methyl Pantoprazole(Mixture of 1 and 3 isomers)
分子式:
C17H17F2N3O4S
分子量:
397.396389722824

泮托拉唑钠杂质D与杂质F的混合物(624742-53-6)名称与标识符

名称

中文别名:
泮托拉唑钠杂质D与杂质F的混合物;N-甲基泮托拉唑钠;泮托拉唑相关物质D和F混合物;泮托拉唑相关物质D和F混合物 USP标准品;泮托拉唑杂质DF;5-(二氟甲氧基)-2-[[(3,4-二甲氧基-2-吡啶基)甲基]亚磺酰基]-1-甲基-1H-苯并咪唑;
英文别名:
Pantoprazole Related Compound D and F Mixture;N-Methyl Pantoprazole;N-Methyl Pantoprazol;N-METHYL PANTOPRAZOLE, MIXTURE OF 1 AND 3 ISOMERS;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole;Pantoprazole Related CoMpounds D and F Mixture;5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole AND 6-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole;Pantoprazole Impurity D;SCHEMBL14344247;N-MethylPantoprazole;1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-1-methyl-;AKOS027321527;N1-Methyl pantoprazole;PANTOPRAZOLE SODIUM SESQUIHYDRATE IMPURITY D [EP IMPURITY];CS-0166174;Pantoprazole sodium sesquihydrate specified impurity D [EP];5- and 6-(Di-fluoromethoxy)-2-[(RS)-[(3,4-dimethoxypyridin-2-yl)methyl]sulphinyl]-1-methyl-1H-benzimidazole;5-(Difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole;5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole; Pantoprazole Sodium Sesquihydrate Imp. D (EP); Pantoprazole Related Compound D and F Mixture; Pantoprazole Sodium Impurity D + F; Pantoprazole Impurity D + F;624742-53-6;5-(Difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole AND 6-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole? (Pantoprazole Impurity);N-Methyl Pantoprazole (Mixture of 1 and 3 isomers);5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1-methyl-1H-1,3-benzodiazole;5-(Difluoromethoxy)-2-((RS)-((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzimidazole;5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl -1H-benzimidazole;Q27259412;UNII-4CH8A399MM;starbld0000385;N-Methyl pantoprazole,mixture of 1 and 3 isomers;A899831;4CH8A399MM;

标识符

InChIKey:
NQWYXCHABHQOMJ-UHFFFAOYSA-N
Inchi:
1S/C17H17F2N3O4S/c1-22-13-5-4-10(26-16(18)19)8-11(13)21-17(22)27(23)9-12-15(25-3)14(24-2)6-7-20-12/h4-8,16H,9H2,1-3H3
SMILES:
S(CC1C(=C(C=CN=1)OC)OC)(C1=NC2C=C(C=CC=2N1C)OC(F)F)=O

泮托拉唑钠杂质D与杂质F的混合物(624742-53-6)物化性质

实验特性

  • LogP : 3.76040
  • PSA : 94.68000
  • 沸点 : 573.0±60.0 °C at 760 mmHg
  • 熔点 : N/A
  • 蒸气压 : 0.0±1.6 mmHg at 25°C
  • 闪点 : 300.3±32.9 °C
  • 溶解度 : 几乎不溶 (0.027 g/L) (25 ºC),
  • 密度 : 1.45±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 397.09100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 7
  • 同位素质量 : 397.09078353g/mol
  • 重原子数量 : 27
  • 复杂度 : 519
  • 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 : 1
  • 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) : 2.3
  • 拓扑分子极性表面积 : 94.7Ų

泮托拉唑钠杂质D与杂质F的混合物(624742-53-6)安全信息

泮托拉唑钠杂质D与杂质F的混合物(624742-53-6)国际标准相关数据

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泮托拉唑钠杂质D与杂质F的混合物(624742-53-6)参考资料

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