Identification
Name |
Cystografin |
Synonyms |
3,5-Diacetamido-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; Diatrizoate Meglumine (Usp); M5266_Sigma |
|
Molecular Structure |
 |
Molecular Formula |
C18H26I3N3O9 |
Molecular Weight |
809.13 |
CAS Registry Number |
7170-91-4 |
SMILES |
[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.CC(=O)NC1=C(I)C(=C(I)C(=C1I)NC(=O)C)C(=O)O |
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 |
InChIKey |
MIKKOBKEXMRYFQ-WZTVWXICSA-N |
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