Ipodate calciumProduct ingredient for Iopodic acid

Name
Ipodate calcium
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
DBSALT001319
Structure
Synonyms
Calcium iopodate / Calcium ipodate / Iopodate calcium / Ipodate calcium salt / Oragrafin calcium
UNII
50S7W5M9ZZ
CAS Number
1151-11-7
Weight
Average: 1233.985
Monoisotopic: 1233.56917
Chemical Formula
C24H24CaI6N4O4
InChI Key
HVZGHKKROPCBDE-UHFFFAOYSA-L
InChI
InChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2
IUPAC Name
calcium bis(3-(3-{[(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoate)
SMILES
[Ca++].CN(C)C=NC1=C(I)C=C(I)C(CCC([O-])=O)=C1I.CN(C)C=NC1=C(I)C=C(I)C(CCC([O-])=O)=C1I
ChemSpider
64879723
Predicted Properties
PropertyValueSource
Water Solubility0.000772 mg/mLALOGPS
logP3.71ALOGPS
logP3.4Chemaxon
logS-6.2ALOGPS
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 Count8Chemaxon
Refractivity115.75 m3·mol-1Chemaxon
Polarizability39.79 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon