Legend: drug field target field enzyme field
| Version | 2.5 | ||||||||||
| Creation Date | 2005-06-13 13:24:05 | ||||||||||
| Update Date | 2009-06-23 18:07:19 | ||||||||||
| Primary Accession Number | DB00271 | ||||||||||
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| Name | Diatrizoate | ||||||||||
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| Description | A commonly used x-ray contrast medium. As diatrizoate meglumine and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography. [PubChem] | ||||||||||
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| Chemical IUPAC Name | 3,5-diacetamido-2,4,6-triiodobenzoic acid | ||||||||||
| Chemical Formula | C11H9I3N2O4 | ||||||||||
| Chemical Structure | |||||||||||
| CAS Registry Number | 117-96-4 | ||||||||||
| InChI Identifier | InChI=1/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)/f/h15-16,19H | ||||||||||
| InChI Key | YVPYQUNUQOZFHG-KAWPVFOWCS | ||||||||||
| KEGG Drug | D01013 ![]() |
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| KEGG Compound | Not Available | ||||||||||
| PubChem Compound | 2140 ![]() |
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| PubChem Substance | 854261 ![]() |
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| ChEBI ID | Not Available | ||||||||||
| PharmGKB ID | Not Available | ||||||||||
| HET ID | Not Available | ||||||||||
| GenBank ID | Not Available | ||||||||||
| Drug ID Number [DIN] | 02237155 ![]() |
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| RxList Link | Not Available | ||||||||||
| PDRhealth Link | Not Available | ||||||||||
| Wikipedia Link | http://en.wikipedia.org/wiki/Diatrizoate ![]() |
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| FDA Label | Not Available | ||||||||||
| Material Safety Data Sheet (MSDS) | |||||||||||
| Synthesis Reference | Not Available | ||||||||||
| Average Molecular Weight | 613.9136 | ||||||||||
| Monoisotopic Molecular Weight | 613.7696 | ||||||||||
| State | Solid | ||||||||||
| Melting Point | Not Available | ||||||||||
| Experimental Water Solubility | Not Available Source: PhysProp | ||||||||||
| Predicted Water Solubility | 1.07e-01 mg/mL Calculated using ALOGPS | ||||||||||
| Experimental LogP/Hydrophobicity | 3.3 Source: PhysProp | ||||||||||
| Predicted LogP | 2.27 Calculated using ALOGPS | ||||||||||
| Experimental LogS | Not Available | ||||||||||
| Predicted LogS | -3.76 Calculated using ALOGPS | ||||||||||
| Experimental Caco2 Permeability | Not Available | ||||||||||
| pKa/Isoelectric Point | Not Available | ||||||||||
| Mass Spectrum | Not Available | ||||||||||
| MOL File | Show | Download ![]() |
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| SDF File | Show | Download ![]() |
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| PDB File | Show | Download ![]() |
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| 2D Structure | |||||||||||
| 3D Structure | |||||||||||
| Experimental PDB ID | Not Available | ||||||||||
| Isomeric SMILES | CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I | ||||||||||
| Canonical SMILES | CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I | ||||||||||
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| Indication | Used, alone or in combination, for a wide variety of diagnostic imaging methods, including angiography, urography, cholangiography, computed tomography, hysterosalpingography, and retrograde pyelography. | ||||||||||
| Pharmacology | Diatrizoate is the most commonly used water-soluble, iodinated, radiopaque x-ray contrast medium. Radiopaque agents are drugs used to help diagnose certain medical problems. They contain iodine, which blocks x-rays. Depending on how the radiopaque agent is given, it localizes or builds up in certain areas of the body. The resulting high level of iodine allows the x-rays to make a "picture" of the area. The areas of the body in which the radiopaque agent localizes will appear white on the x-ray film. This creates the needed distinction, or contrast, between one organ and other tissues. The contrast will help the doctor see any special conditions that may exist in that organ or part of the body. | ||||||||||
| Mechanism of Action | Diatrizoate is an iodine-containing X-ray contrast agent. Iodated contrast agents were among the first contrast agents developed. Iodine is known to be particular electron-dense and to effectively scatter or stop X-rays. A good contrast agent requires a high density of electron-dense atoms. Therefore, the more iodine, the more "dense" the x-ray effect. Iodine based contrast media are water soluble and harmless to the body. These contrast agents are sold as clear colorless water solutions, the concentration is usually expressed as mg I/ml. Modern iodinated contrast agents can be used almost anywhere in the body. Most often they are used intravenously, but for various purposes they can also be used intraarterially, intrathecally (the spine) and intraabdominally - just about any body cavity or potential space. | ||||||||||
| Absorption | Not Available | ||||||||||
| Toxicity | Not Available | ||||||||||
| Protein Binding | Not Available | ||||||||||
| Biotransformation | Not Available | ||||||||||
| Half Life | Not Available | ||||||||||
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| Patient Information | Not Available | ||||||||||
| Contraindications | Not Available | ||||||||||
| Interactions | Show ![]() |
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| Drug Interactions | Not Available | ||||||||||
| Food Interactions | Not Available | ||||||||||
| Pathways | Not Available | ||||||||||
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This project is supported by Genome Alberta & Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government. This project is also supported in part by GenomeQuest, Inc., an enterprise genomic information company serving the life science community.