1. Primary Information
| English name: | Diatrizoate Meglumine |
| CAS No.: | 131-49-7 |
| Molecular formula: | C18H26I3N3O9 |
| Molecular weight: | 809.1 g/mol |
| SMILES: | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNCC(C(C(C(CO)O)O)O)O |
| Structural class: | |
| Other identifiers: |
Amidotricoic Acid Amidotrizoate, Meglumine Amidotrizoic Acid Angiografin Diatrizoate Meglumine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | 98%，含碘47.1% | 435 | RT | in stock | - |
| Kehua Intelligence | 25g | 98%，含碘47.1% | 1203 | RT | in stock | - |
| Kehua Intelligence | 100g | 98%，含碘47.1% | 2048 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
4.2 InChI
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
4.3 InChIKey
MIKKOBKEXMRYFQ-WZTVWXICSA-N
4.4 Canonical SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNCC(C(C(C(CO)O)O)O)O
4.5 Isomeric SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
