Molecular Identity
Iopamidol
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
PubChem CID: 65492
Iopamidol is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound, a pentol and a benzenedicarboxamide.
2D Structure
Properties
C17H22I3N3O8
Molecular Formula
777.10
Molecular Weight
g/mol
776.8541
Exact Mass
Da
-2.4
XLogP
Drug-like (Lipinski: < 5)
188
TPSA
May have limited oral absorption
8
H-Bond Donors
8
H-Bond Acceptors
583
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)OIsomeric SMILES
SMILES: C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)OSynonyms(20)
iopamidol60166-93-0IopamironIsovueNiopamSolutrastIopamidolumIsovue-370Iopamidol-200Iopamidol-250Iopamidol-300Iopamidol-370Scanlux-300Scanlux-370Isovue-128
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iopamidol
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