Iodamide meglumineProduct ingredient for Iodamide
- Name
- Iodamide meglumine
- Drug Entry
- Iodamide
Iodamide is a contrast medium molecule that is no longer marketed in the United States.
- Accession Number
- DBSALT001393
- Structure
Structure for Iodamide meglumine (DBSALT001393)
- Synonyms
- Iodamide meglumine
- UNII
- 6X283535A3
- CAS Number
- 18656-21-8
- Weight
- Average: 823.158
Monoisotopic: 822.89596 - Chemical Formula
- C19H28I3N3O9
- InChI Key
- UYIPQECISAQMIU-WZTVWXICSA-N
- InChI
- InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
- IUPAC Name
- (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid
- SMILES
- CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NCC1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I
- External Links
- ChemSpider
- 27150
- ChEMBL
- CHEMBL1201172
- Predicted Properties
Property Value Source Water Solubility 0.0577 mg/mL ALOGPS logP 2.55 ALOGPS logP 2.6 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 2.28 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 95.5 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 106.18 m3·mol-1 Chemaxon Polarizability 40.78 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