Diatrizoate meglumineProduct ingredient for Diatrizoate
- Name
- Diatrizoate meglumine
- 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
- DBSALT000844
- Structure
- Synonyms
- Diatrizoate meglumine / Diatrizoate methylglucamine / Meglumine amidotrizoate / Meglumine diatrizoate / Methylglucamine diatrizoate / Urografic acid methylglucamine salt
- UNII
- 3X9MR4N98U
- CAS Number
- 131-49-7
- Weight
- Average: 809.1272
Monoisotopic: 808.880309705 - Chemical Formula
- C18H26I3N3O9
- InChI Key
- MIKKOBKEXMRYFQ-WZTVWXICSA-N
- InChI
- InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
- IUPAC Name
- methyl[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium 3,5-diacetamido-2,4,6-triiodobenzoate
- SMILES
- C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NC1=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C1I
- External Links
- KEGG Drug
- D02015
- PubChem Compound
- 8566
- ChemSpider
- 8248
- ChEBI
- 31812
- ChEMBL
- CHEMBL1200839
- Wikipedia
- Diatrizoate
- Predicted Properties
Property Value Source Water Solubility 0.226 mg/mL ALOGPS logP 0.63 ALOGPS logP 2.89 Chemaxon logS -3.6 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 9 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