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Chemistry

Mol. Mass

613.9136

ALogP

2.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
  • InChIKey: UXIGWFXRQKWHHA-UHFFFAOYSA-N
    1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1097620   ChEMBL
iothalamate sodium

CHEMBL1201125   ChEMBL
iothalamate meglumine

CHEMBL1201300   ChEMBL
iothalamic acid

16CHD79MIX   NCATS
iothalamic acid *

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