66108-95-0
Product Name:
Iohexol
Formula:
C19H26I3N3O9
Synonyms:
5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N′-bis(2,3-dihydroxypropyl)isophthalamide;5-[N-(2,3-Dihydroxypropyl)acetamido]-2,4,6-triiodo-N,N′-bis(2,3-dihydroxypropyl)isophthalamide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 174-180 °C |
| LogP | -3.05 |
COMPUTED DESCRIPTORS
| Molecular Weight | 821.1 g/mol |
|---|---|
| XLogP3 | -3 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 820.8803 g/mol |
| Monoisotopic Mass | 820.8803 g/mol |
| Topological Polar Surface Area | 200 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 653 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Iohexol is a benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is an organoiodine compound and a benzenedicarboxamide.