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62883-00-5

62883-00-5 structural image
Product Name: N1,N3-Bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide
Formula: C17H22I3N3O8
Synonyms: (S)-N,N′-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide;Iopamidol
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White crystalline powder
Odor Odorless
Melting Point Decomposes at about 300 °C without melting
Solubility Very soluble in water
LogP log Kow = -2.42
Optical Rotation Specific optical rotation: -20.1 deg at 20 °C/D (c = 10 in water)
Decomposition When heated to decomposition it emits very toxic fumes of /iodine and oxides of nitrogen/.
Ionization Efficiency Positive
Dissociation Constants pKa = 10.70 (25 °C)
Collision Cross Section 205.65 Ų [M-H]- 219.24 Ų [M+H]+
Other Experimental Properties Physical properties of iopamidol in solution with hydrochloric acid and/or sodium hydroxide. Table: Percentage Iopamidol in Solution [Table#8056]

COMPUTED DESCRIPTORS

Molecular Weight 777.1 g/mol
XLogP3 -2.4
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 776.8541 g/mol
Monoisotopic Mass 776.8541 g/mol
Topological Polar Surface Area 188 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 583
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Iopamidol 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 a (2S)-2-hydroxypropanamido group at the 5-position. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is a benzenedicarboxamide, an organoiodine compound and a pentol.