Iodipamide meglumineProduct ingredient for Iodipamide

Name
Iodipamide meglumine
Drug Entry
Iodipamide

Iodipamide is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography.

Accession Number
DBSALT001312
Structure
Synonyms
Adipiodone meglumine / cholograf-n-methylglucamine / Meglumine adipiodone / Meglumine iodipamide / Methyl glucamine biligrafin / Methylglucamine iodipamide
UNII
X064O0Y1A4
CAS Number
3521-84-4
Weight
Average: 1530.197
Monoisotopic: 1529.73335
Chemical Formula
C34H48I6N4O16
InChI Key
DGIAUNUPXILTJW-VRWDCWMNSA-N
InChI
InChI=1S/C20H14I6N2O6.2C7H17NO5/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1
IUPAC Name
bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol); 3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I
ChemSpider
552195
ChEBI
31704
ChEMBL
CHEMBL3989806
Wikipedia
Adipiodone
Predicted Properties
PropertyValueSource
Water Solubility0.00306 mg/mLALOGPS
logP3.42ALOGPS
logP8.25Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)2.03Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area132.8 Å2Chemaxon
Rotatable Bond Count21Chemaxon
Refractivity183.98 m3·mol-1Chemaxon
Polarizability70.48 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon