basic_info |
|
| Product_Name： | IOTALAMIC ACID MEGLUMINE SALT |
| CAS： | 13087-53-1 |
| EnglishSynonyms： | IOTHALAMATE MEGLUMINE ; IOTALAMIC ACID MEGLUMINE SALT |
| pro_mdlNumber： | MFCD01717601 |
| pro_acceptors： | 6 |
| pro_donors： | 3 |
| pro_smile： | CC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChi： | InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1 |
| InChiKey： | InChIKey=VLHUSFYMPUDOEL-WZTVWXICSA-N |
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