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| IUPAC Name: | 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
| Description: | An intermediate used in the synthesis of imaging agents such as Iohexol. |
| Molecular Weight: | 747.06 |
| Molecular Formula: | C16H20I3N3O7 |
| Canonical SMILES: | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChI: | InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25) |
| InChI Key: | BHCBLTRDEYPMFZ-UHFFFAOYSA-N |
| Boiling Point: | 746.085 °C at 760 mmHg |
| Melting Point: | 274-276 °C |
| Purity: | > 95 % |
| Density: | 2.29 g/cm3 |
| Appearance: | White to off-white solid |
| MDL: | MFCD08063354 |
| LogP: | 0.47960 |
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