Meglumine diatrizoate

3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

CAS: 131-49-7

Molecular Formula	`C18H26I3N3O9`
Molecular Weight	809.1 g/mol
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	808.8803
Heavy Atoms	33
Complexity	525.0

Chemical Identifiers

CAS Number	131-49-7
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`
InChIKey	`MIKKOBKEXMRYFQ-WZTVWXICSA-N`

📖 Product Overview

Meglumine diatrizoate (CAS: 131-49-7) is a chemical compound with molecular formula C18H26I3N3O9 and molecular weight 809.1 g/mol. Its IUPAC systematic name is 3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol. Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 10 Rotatable Bonds 9 Exact Mass 808.8803 Heavy Atoms 33 Complexity 525.0 InChI Key: MIKKOBKEXMRYFQ-WZTVWXICSA-N. 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.

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