171897-72-6 (N-Acetyl Cyclized Iodixanol,N-Acetyl Cyclized Iodixanol)

CAS号:
171897-72-6
中文名称:
N-Acetyl Cyclized Iodixanol
英文名称:
N-Acetyl Cyclized Iodixanol
分子式:
C35H43I5N6O15
分子量:
1422.2694914341

N-Acetyl Cyclized Iodixanol(171897-72-6)名称与标识符

名称

中文别名:
N-Acetyl Cyclized Iodixanol;碘克沙醇BP杂质G;
英文别名:
N-Acetyl Cyclized Iodixanol;4-Acetyl-2-((acetyl(3,5-bis(((2,3-dihydroxypropyl)amino)carbonyl)-2,4,6-triiodophenyl)amino)methyl)-N,N'-bis(2,3-dihydroxypropyl)-2,3-dihydro-5,7-diiodo-4H-1,4-benzoxazine-6,8-dicarboxamide;Iodixanol Impurity G;TVN2A2DN5U;Iodixanol impurity G [EP];Iodixanol related compound G;Iodixanol related compound G [USP];Q27290432;2H-1,4-Benzoxazine-6,8-dicarboxamide, 4-acetyl-2-((acetyl(3,5-bis(((2,3-dihydroxypropyl)amino)carbonyl)-2,4,6-triiodophenyl)amino)meth;

标识符

InChIKey:
IOCIQOIPCBOEJB-UHFFFAOYSA-N
Inchi:
1S/C35H43I5N6O15/c1-13(51)45(29-26(38)20(32(57)41-3-15(53)9-47)24(36)21(27(29)39)33(58)42-4-16(54)10-48)7-19-8-46(14(2)52)30-28(40)22(34(59)43-5-17(55)11-49)25(37)23(31(30)61-19)35(60)44-6-18(56)12-50/h15-19,47-50,53-56H,3-12H2,1-2H3,(H,41,57)(H,42,58)(H,43,59)(H,44,60)
SMILES:
IC1=C(C(NCC(CO)O)=O)C(=C(C(NCC(CO)O)=O)C2=C1N(C(C)=O)CC(CN(C(C)=O)C1C(=C(C(NCC(CO)O)=O)C(=C(C(NCC(CO)O)=O)C=1I)I)I)O2)I

N-Acetyl Cyclized Iodixanol(171897-72-6)物化性质

计算特性

  • 氢键供体数量 : 12
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 19
  • 重原子数量 : 61
  • 复杂度 : 1490
  • 拓扑分子极性表面积 : 328

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N-Acetyl Cyclized Iodixanol(171897-72-6)参考资料

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