Molecule ID: 23689317

IUPAC Name: sodium;2-[(2-iodobenzoyl)amino]acetate

Description: The molecule is an organic sodium salt resulting from the formal reaction of equimolar amounts of 2-iodohippuric acid and sodium. It has been used as a contrast agent in urography. Isotopologues labelled with radioactive iodine were formerly used for determination of effective renal plasma flow. It has also been used labelled with radioactive iodine (iodine-125 or iodine-131) in tests of renal function and in renal imaging. It has a role as a radioopaque medium. It contains a 2-iodohippurate.

SMILES: O=C([O-])CN=C(O)c1ccccc1I.[Na+]

SELFIES: [O][=C][Branch1][C][O-1][C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I].[Na+1]

InChI: InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: nan