Iomeprol

Synonyms: iomeprol, "Iomeprolum", "Iomeprolo", "N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide", "17E17JBP8L", "Iomeron", "N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide", "NCGC00183283-01", "Imeron", "1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide".

Source: Iomeprol is a non-ionic monomeric contrast medium.

Identifiers:

IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide
CAS Number: 78649-41-9
PubChem ID: 3731
InChiKey: NJKDOADNQSYQEV-UHFFFAOYSA-N
Canonical SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO

Structural Properties:

Molecular Formula: C₁₇H₂₂I₃N₃O₈
Molecular Weight: 777.1

Pharmacophore Features:

Number of bond donors: 7
Number of bond acceptors: 8
Number of atoms different from hydrogen: 31

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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2D-structure

3D-structure