437717-43-6 (伐地那非杂质,3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid)

CAS号:
437717-43-6
中文名称:
伐地那非杂质
英文名称:
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid
分子式:
C17H20N4O5S
分子量:
392.429502487183

伐地那非杂质(437717-43-6)名称与标识符

名称

中文别名:
伐地那非杂质B (EP);伐地那非去乙基哌嗪基磺酸;伐地那非EP杂质B;伐地那非酸;
英文别名:
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid;3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Aci;4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2 ,4]triazin-2-yl)benzenesulfonic acid;3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid;VARDENAFIL ACID [USP IMPURITY];3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxybenzenesulfonic acid;4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f]-1,2,4-triazin-2-yl)benzenesulphonic acid;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid? (Vardenafil Impurity;SCHEMBL5767555;BENZENESULFONIC ACID, 3-(1,4-DIHYDRO-5-METHYL-4-OXO-7-PROPYLIMIDAZO(5,1-F)(1,2,4)TRIAZIN-2-YL)-4-ETHOXY-;A936189;437717-43-6;DB-303674;CS-0166273;XTMCEBZOWCIYQF-UHFFFAOYSA-N;DTXSID401036274;VARDENAFIL HYDROCHLORIDE TRIHYDRATE IMPURITY B [EP IMPURITY];VARDENAFIL ACID;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid;4-ETHOXY-3-(5-METHYL-4-OXO-7-PROPYL-3,4-DIHYDROIMIDAZO(5,1-F)(1,2,4)TRIAZIN-2-YL)BENZENESULFONIC ACID;NS00006833;

标识符

InChIKey:
XTMCEBZOWCIYQF-UHFFFAOYSA-N
Inchi:
1S/C17H20N4O5S/c1-4-6-14-18-10(3)15-17(22)19-16(20-21(14)15)12-9-11(27(23,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,22)(H,23,24,25)
SMILES:
S(C1C=CC(=C(C=1)C1NC(C2=C(C)N=C(CCC)N2N=1)=O)OCC)(=O)(=O)O

伐地那非杂质(437717-43-6)物化性质

计算特性

  • 精确分子量 : 392.11544092g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 6
  • 同位素质量 : 392.11544092g/mol
  • 重原子数量 : 27
  • 复杂度 : 692
  • 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) : 1.9
  • 拓扑分子极性表面积 : 131Ų