CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | Freely soluble in water |
|---|---|
| Density | 1.160 at 25 °C |
| LogP | logP (butanol/water) = -1.93 |
| Viscosity | 3.1 cP at 20 °C; 2.0 cP at 37 °C |
| Other Experimental Properties | Osmolality (37 deg): 1110 mOsmol/kg water |
COMPUTED DESCRIPTORS
| Molecular Weight | 661.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 19 |
| Exact Mass | 662.15468 g/mol |
| Monoisotopic Mass | 662.15468 g/mol |
| Topological Polar Surface Area | 207 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Gadoversetamide is a gadolinium coordination entity that consists of Gd(3+) coordinated to 3,6,9-triazaundecadiamide in which each of the amide nitrogens is substituted by a 2-methoxyethyl group and in which the nitrogens at positions 3, 6, and 9 are each substituted by carboxylatomethyl group. The gadolinium is coordinated to the three tertiary amino groups as well as to the carboxylate groups. A white odourless powder that is freely soluble in water, gadoversetamide has paramagnetic properties and is used as a contrast agent in magnetic resonance imaging. It distributes mainly in extracellular fluid, but does not cross the blood-brain barrier. It is used particularly in imaging the brain, spine and liver. It has a role as a MRI contrast agent.