Iothalamate Sodium I-125

Molecular Weight (g/mol)

629.9

Molecular Formula

C11H8I3N2NaO4

InChI

InChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1/i12-2,13-2,14-2;

InChIKey

WCIMWHNSWLLELS-SQHZOQHUSA-M

SMILES

CC(=O)NC1=C(C(=C(C(=C1[125I])C(=O)[O-])[125I])C(=O)NC)[125I].[Na+]

IUPAC Name

sodium;3-acetamido-2,4,6-tris(125I)(iodanyl)-5-(methylcarbamoyl)benzoate

Exact Mass (Da)

629.75207

Monoisotopic Mass (Da)

629.75207