iodipamide   Click here for help

GtoPdb Ligand ID: 7400

Synonyms: adipiodone meglumine | iodipamic acid | radio-cholografin
Approved drug PDB Ligand  Ligand is labelled
iodipamide is an approved drug
Compound class: Synthetic organic
Comment: Iodipamide is an ionic radiopaque contrast agent.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 132.8
Molecular weight 1139.51
XLogP 8.36
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I
Isomeric SMILES O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I
InChI InChI=1S/C20H14I6N2O6/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/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChI Key FFINMCNLQNTKLU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
International Nonproprietary Names Click here for help
INN number INN
313 adipiodone
Synonyms Click here for help
adipiodone meglumine | iodipamic acid | radio-cholografin
Database Links Click here for help
CAS Registry No. 606-17-7
ChEMBL Ligand CHEMBL1165268
DrugBank Ligand DB04711
DrugCentral Ligand 1455
GtoPdb PubChem SID 178103972
PubChem CID 3739
RCSB PDB Ligand IDB
Search Google for chemical match using the InChIKey FFINMCNLQNTKLU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FFINMCNLQNTKLU
Search PubMed clinical trials adipiodone
Search PubMed titles adipiodone
Search PubMed titles/abstracts adipiodone
Search UniChem for chemical match using the InChIKey FFINMCNLQNTKLU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FFINMCNLQNTKLU
Wikipedia Iodipamide