Description

Diatrizoic Acid (CAS 117-96-4) is a high-purity, iodinated organic compound with the molecular formula C₁₁H₉I₃N₂O₄, widely recognized for its role as a radiopaque contrast agent in medical imaging. Its IUPAC name, 3,5-diacetamido-2,4,6-triiodobenzoic acid, reflects its triiodinated aromatic structure, which enhances X-ray absorption for clear visualization of anatomical structures. This white to off-white crystalline powder is soluble in alkaline solutions and exhibits excellent stability under controlled conditions. Diatrizoic Acid is rigorously tested for heavy metals, residual solvents, and microbiological contaminants to meet pharmaceutical-grade standards. Suitable for research, diagnostic applications, and formulation studies, it is available in bulk quantities with customizable packaging options. Store in a cool, dry place, protected from light and moisture to ensure long-term stability.

Properties

• CAS Number: 117-96-4
• Complexity: 390
• IUPAC Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid
• InChI: InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
• InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N
• Exact Mass: 613.7696
• Molecular Formula: C11H9I3N2O4
• Molecular Weight: 613.91
• SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
• Topological: 95.5
• Monoisotopic Mass: 613.7696
• Physical Description: Solid
• Color/Form: WHITE POWDER
• Melting Point: >250
• Solubility: VERY SLIGHTLY SOL IN WATER, ALCOHOL; SOL IN DIMETHYLFORMAMIDE, ALKALI HYDROXIDE SOLUTIONS
• Stability/Shelf Life: Preparations containing diatrizoate sodium should be protected from strong light.
• Synonyms: Diatrizoic acid, amidotrizoic acid, Urogranoic acid, Urografin acid, Urotrast, Acidum amidotrizoicum, 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid, 5UVC90J1LK, amidotrizoic acid (anhydrous), NSC-262168, DTXSID0044521, CHEBI:53691, Amidotrizoic acid, anhydrous, Acidum amidotrizoicum, anhydrous, DTXCID8024521, NSC262168, 3,5-bis-acetamido-2,4,6-triiodobenzoic acid, UNII-408463F217, DIATRIZOIC ACID (II), DIATRIZOIC ACID [II], DIATRIZOIC ACID (USP-RS), DIATRIZOIC ACID [USP-RS], AMIDOTRIZOIC ACID (MART.), AMIDOTRIZOIC ACID [MART.], Urothrast, DIATRIZOIC ACID (USP MONOGRAPH), DIATRIZOIC ACID [USP MONOGRAPH], 204-223-6, 117-96-4, DIATRIZOATE, 3,5-Diacetamido-2,4,6-triiodobenzoic acid, Amidotrizoate, Odiston, Triombrin, Methalamic acid, Diat, Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, Diatriazoate, Diatrizoesaure, Acide amidotrizoique, Hypaque, 2,4,6-Triiodo-3,5-diacetamidobenzoic acid, Acidum diacetylaminotrijodbenzoicum, S 17, Gastrografin, G 2-75, Vascoray, NSC 262168, Renografin 76, Hypaque 50, Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, diatrizoic acid (anhydrous), Amidotrizoic acid;Diatrizoate, MFCD00069960, 3,5-Bis(acetamido)-2,4,6-triiodobenzoic Acid, DIAT [German], Triombrin [Russian], Amidotrzoique (acide), DiatrizoicAcid, Diatrizoesaure [German], HSDB 4042, Sodium (diacetyldiamine)triiodobenzoate, NCGC00021123-02, EINECS 204-223-6, UNII-5UVC90J1LK, BRN 2225144, Diatrizoesaeure, diatrizoic-acid, Diatrizoic acid [USAN:USP], Diatrizoic acid (USP), 3,5-diacetamido-2,4,6-triiodo-benzoic acid, DIATRIZOATE [VANDF], Diatrizoic acid (Standard), EC 204-223-6, Amidotrizoic acid (JP17), cid_8566, SCHEMBL8508, 3,4,6-triiodobenzoic acid, DIATRIZOIC ACID [MI], Amidotrizoate (*sodium salt*), DIATRIZOIC ACID [HSDB], DIATRIZOIC ACID [USAN], (Diacetyldiamine)triiodobenzoate, SCHEMBL9298885, AMIDOTRIZOIC ACID [JAN], CHEMBL1201220, BDBM62875, HY-B0926R, HMS2094A11, HMS5083D13, Pharmakon1600-01505777, AMIDOTRIZOIC ACID [WHO-DD], AMIDOTRIZOIC ACID [WHO-IP], HY-B0926, MSK10798, Tox21_301929, NSC760390, s4563, Amidotrizoic acid, analytical standard, AKOS001073646, AC-4695, CCG-213547, DB00271, NSC-760390, WLN: 1VMR BI DI FI CVQ EMV1, NCGC00021123-01, NCGC00255848-01, 2,6-Triiodo-3,5-diacetamidobenzoic acid, AS-68015, CAS-117-96-4, DA-52505, SBI-0206932.P001, ACIDUM AMIDOTRIZOICUM [WHO-IP LATIN], Benzoic acid,5-diacetamido-2,4,6-triiodo-, D1462, NS00000227, 3,5-diacetylamino-2,4,6-triiodobenzoic acid, AMIDOTRIZOIC ACID, ANHYDROUS [WHO-IP], EN300-00176, 3,5-Di(acetamido)-2,4,6-triiodobenzoic Acid, D02240, D89865, AB00979425-01, AB00979425_02, Benzoic acid,5-bis(acetylamino)-2,4,6-triiodo-, Q411511, BRD-K48247567-001-01-9, Z56886396, ACIDUM AMIDOTRIZOICUM, ANHYDROUS [WHO-IP LATIN], 3, 5-Diacetamido-2,4,6-triiodobenzoic acid, sodium salt, Diatrizoic acid dihydrate, meets USP testing specifications, Benzoic acid, 3,5-diacetamido-2,4, 6-triiodo-, sodium salt, Diatrizoic acid, United States Pharmacopeia (USP) Reference Standard, Amidotrizoic acid dihydrate, European Pharmacopoeia (EP) Reference Standard, Amidotrizoic acid for system suitability, European Pharmacopoeia (EP) Reference Standard, 3,5-diacetamido-2,4,6-triiodo-benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol, 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Application

Diatrizoic Acid is primarily used as an X-ray contrast medium in diagnostic imaging, particularly for angiography, urography, and gastrointestinal studies. Its high iodine content provides excellent radiopacity, enabling clear visualization of blood vessels, urinary tracts, and other internal structures. Researchers also utilize it in in vitro studies to investigate contrast agent mechanisms or develop novel imaging formulations. Additionally, it serves as a reference standard in analytical chemistry for method validation and quality control.

Safety and Hazards

GHS Hazard Statements

• H317 (90%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H334 (90%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Precautionary Statements

• P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501

Hazard Classes and Categories

• Skin Sens. 1 (90%)
• Resp. Sens. 1 (90%)

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