Diatrizoate sodiumProduct ingredient for Diatrizoate
- Name
- Diatrizoate sodium
- Drug Entry
- Diatrizoate
A commonly used x-ray contrast medium. As diatrizoate meglumine and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography.
- Accession Number
- DBSALT000267
- Structure
Structure for Diatrizoate sodium (DBSALT000267)
- Synonyms
- Diatrizoate sodium / Sodium amidotrizoate / Sodium diatrizoate
- UNII
- V5403H8VG7
- CAS Number
- 737-31-5
- Weight
- Average: 635.8954
Monoisotopic: 635.751581689 - Chemical Formula
- C11H8I3N2NaO4
- InChI Key
- ZEYOIOAKZLALAP-UHFFFAOYSA-M
- InChI
- InChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1
- IUPAC Name
- sodium 3,5-diacetamido-2,4,6-triiodobenzoate
- SMILES
- [Na+].CC(=O)NC1=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C1I
- External Links
- PubChem Compound
- 23672589
- ChemSpider
- 12381
- ChEBI
- 53692
- ChEMBL
- CHEMBL1200581
- Wikipedia
- Diatrizoate
- Predicted Properties
Property Value Source Water Solubility 0.0531 mg/mL ALOGPS logP 1.59 ALOGPS logP 2.89 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 2.17 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 98.33 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 113.96 m3·mol-1 Chemaxon Polarizability 38.12 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon