18656-21-8 (3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol,3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol)

CAS号:
18656-21-8
中文名称:
3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
英文名称:
3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol
分子式:
C19H28I3N3O9
分子量:
823.153742790222

3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol(18656-21-8)名称与标识符

名称

英文别名:
IODAMIDE MEGLUMINE;Meglumine iodamide;Conraxin H;Renovue-DIP;Renovue-65;Iodamide 300;Iodamide methylglucamine;Iodamide N-methyl-D-glucamine salt;Jodamid methylglucaminsalz [German];EINECS 242-480-6;3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid,(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;D01979;Opacist E.R.;D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoate (1:1);DTXSID90171915;Q27265650;MEGLUMINE IODAMIDE (MART.);Conraxin H; Iodamide 300; Iodamide methylglucamine; Meglumine iodamide; Renovue 65;MEGLUMINE IODAMIDE [MART.];Iodamide Meglumine [USAN];UNII-6X283535A3;Renovue-65 (TN);Isteropac E.R.;DTXCID9094406;Renovue;SCHEMBL720586;AKOS040752086;3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;Jodamid methylglucaminsalz;1-Deoxy-1-(methylamino)-D-glucitol alpha,5-diacetamido-2,4,6-triiodo-m-toluate;Iodamide meglumine (USAN);CHEMBL1201172;Glucitol, 1-deoxy-1-(methylamino)-, alpha,5-diacetamido-2,4,6-triiodo-m-toluate (salt), D-;IODAMIDE MEGLUMINE [VANDF];Benzoic acid, 3-(acetylamino)-5-((acetylamino)methyl)-2,4,6-triiodo-, compound with 1-deoxy-1-(methylamino)-D-glucitol (1:1);IODAMIDE N-METHYL-D-GLUCAMINE SALT [MI];NS00085597;IODAMIDE MEGLUMINE [WHO-DD];IODAMIDE MEGLUMINE [ORANGE BOOK];.ALPHA.,5-DIACETAMIDO-2,4,6-TRIIODO-M-TOLUIC ACID COMPOUND WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:1);alpha,5-Diacetamido-2,4,6-triiodo-m-toluic acid compound with 1-deoxy-1-(methylamino)-D-glucitol (1:1);18656-21-8;methylglucamine iodamide;Meglumine Iodamide Injection;6X283535A3;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate;

标识符

InChIKey:
UYIPQECISAQMIU-WZTVWXICSA-N
Inchi:
1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
SMILES:
IC1C(=C(C(C(=O)O)=C(C=1CNC(C)=O)I)I)NC(C)=O.O[C@H]([C@H](CNC)O)[C@@H]([C@@H](CO)O)O

3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol(18656-21-8)物化性质

计算特性

  • 精确分子量 : 822.8960g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 10
  • 同位素质量 : 822.8960g/mol
  • 重原子数量 : 34
  • 复杂度 : 569
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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 : 2
  • 拓扑分子极性表面积 : 209Ų