Ipodate sodiumProduct ingredient for Iopodic acid

Name
Ipodate sodium
Drug Entry
Iopodic acid

Iopodic acid, also known by the name of ipodate, is classified as a cholecystographic agent formed by a weak organic acid that contains a tri-iodinated benzene ring with iodine at positions 2, 4 and 6.1 Due to its particular structure, it presents a high degree of lipid solubility and a radiopaque property. It was developed and filed to the FDA by the company BRACCO. This drug was approved on March 15, 1962 but it is nowadays discontinued from the FDA and Health Canada. On September 22, 1981, ipodate was submitted again by the company Schering AG but it is currently under an inactive status.7

Accession Number
DBSALT001318
Structure
Synonyms
Iopodate sodium / Ipodate sodium salt / Oragrafin sodium / Sodium iopodate / Sodium ipodate
External IDs
NSC-106962
UNII
F316LLW9WW
CAS Number
1221-56-3
Weight
Average: 619.943
Monoisotopic: 619.79306
Chemical Formula
C12H12I3N2NaO2
InChI Key
ZFHZUGUCWJVEQC-UHFFFAOYSA-M
InChI
InChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1
IUPAC Name
sodium 3-(3-{[(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoate
SMILES
[Na+].CN(C)C=NC1=C(I)C=C(I)C(CCC([O-])=O)=C1I
ChemSpider
20473671
ChEMBL
CHEMBL3184539
Wikipedia
Ipodate_sodium
Predicted Properties
PropertyValueSource
Water Solubility0.00615 mg/mLALOGPS
logP3.34ALOGPS
logP3.4Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)1.99Chemaxon
pKa (Strongest Basic)4.16Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area55.73 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity115.75 m3·mol-1Chemaxon
Polarizability39.79 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon