iomeprol
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide
| Molecular Formula | C17H22I3N3O8 |
|---|---|
| Molecular Weight | 777.1 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 180.0 A2 |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 776.8541 |
| Heavy Atoms | 31 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 78649-41-9 |
|---|---|
| SMILES | CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO |
| InChIKey | NJKDOADNQSYQEV-UHFFFAOYSA-N |
📖 Product Overview
iomeprol (CAS: 78649-41-9) is a chemical compound with molecular formula C17H22I3N3O8 and molecular weight 777.1 g/mol. Its IUPAC systematic name is 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide.
NJKDOADNQSYQEV-UHFFFAOYSA-N.
SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO.
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