Diatrizoic acid

Synonyms: Diatrizoic acid, "amidotrizoic acid", "Amidotrizoate", "Urogranoic acid", "3,5-Diacetamido-2,4,6-triiodobenzoic acid", "Urografin acid", "Urotrast", "Odiston", "Diat", "Diatriazoate", "Diatrizoesaure", "Triombrin", "Acide amidotrizoique", "Acidum amidotrizoicum", "Methalamic acid", "Hypaque", "3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid", "Amidotrzoique (acide)", "Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-", "Diatrizoesaure [German]", "Acidum diacetylaminotrijodbenzoicum".

Source: Diatrizoic acid is an iodinated radiocontrast agent.

Identifiers:

IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid
CAS Number: 117-96-4
PubChem ID: 2140
InChiKey: YVPYQUNUQOZFHG-UHFFFAOYSA-N
Canonical SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

Structural Properties:

Molecular Formula: C₁₁H₉I₃N₂O₄
Molecular Weight: 613.91

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 20

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Evidence Supporting This Chemical as an Emerging Contaminant

Xu, J., Zhang, X., Sun, C., He, H., Dai, Y., Yang, S., ... & Zhou, Y. (2018). Catalytic Degradation of Diatrizoate by Persulfate Activation with Peanut Shell Biochar-Supported Nano Zero-Valent Iron in Aqueous Solution.?International journal of environmental research and public health,?15(9), 1937.

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