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59017-64-0

59017-64-0 structural image
Product Name: IOXAGLIC ACID (100 MG)
Formula: C24H21I6N5O8
Synonyms: N-(2-Hydroxyethyl)-2,4,6-triiodo-5-{2-[2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido]acetamido}isophthalamic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point >254°C
Solubility soluble
Decomposition When heated to decomposition it emits toxic fumes of /iodine, oxides of nitrogen, and oxides of sodium/.

COMPUTED DESCRIPTORS

Molecular Weight 1268.9 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 1268.5658 g/mol
Monoisotopic Mass 1268.5658 g/mol
Topological Polar Surface Area 194 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1090
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ioxaglic acid is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. It has a role as a radioopaque medium. It is an organoiodine compound, a benzenedicarboxamide and a member of benzoic acids.