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Gadoversetamide

CAT: 0013-GTR19334471-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19334471-01Size:50 mg
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Description
Gadoversetamide (Gd-DTP-BMEA) is a nonionic, hydrophilic gadolinium chelate used as a contrast agent in magnetic resonance imaging (MRI) .
CAS Number
131069-91-5
Molecular Weight
661.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gadoversetamide

Gadoversetamide is a gadolinium coordination entity that consists of Gd3+ 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.

CAS Number131069-91-5
PubChem CID444013
IUPAC Name2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC20H34GdN5O10
Molecular Weight661.8
Topological Polar Surface Area207
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count36
Formal Charge0
Complexity614
SMILES
COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChI
InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3
InChIKey
HBEAOBRDTOXWRZ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Gadoversetamide
CAS: 131069-91-5
CID: 444013
Formula: C20H34GdN5O10
MW: 661.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight661.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass662.15468
Monoisotopic Mass662.15468
Topological Polar Surface Area207 Ų
Heavy Atom Count36
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
451043-01Gadoversetamide

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