Molecular Identity
Iomeprol
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide
PubChem CID: 3731
Iomeprol 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 glycoloyl(methyl)amino group at the 5-position. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound and a benzenedicarboxamide.
2D Structure
Properties
C17H22I3N3O8
Molecular Formula
777.10
Molecular Weight
g/mol
776.8541
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
180
TPSA
May have limited oral absorption
7
H-Bond Donors
8
H-Bond Acceptors
591
Complexity
SMILES
Canonical SMILES
SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)COIsomeric SMILES
SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)COSynonyms(20)
iomeprol78649-41-9IomeronIomeprolumIomeproloDTXSID1049061Iomeron 300IOMERVUE-7337N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide17E17JBP8LDTXCID2028987E7337CHEBI:31710N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iomeprol
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