62883-00-5
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | White crystalline powder |
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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 |
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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.