CHEBI:31644 - gadoversetamide

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ChEBI Name gadoversetamide
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C20H34GdN5O10
Net Charge 0
Average Mass 661.76166
Monoisotopic Mass 662.15468
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
Roles Classification
Application(s): MRI contrast agent

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ChEBI Ontology
Outgoing gadoversetamide (CHEBI:31644) has role MRI contrast agent (CHEBI:37335)
gadoversetamide (CHEBI:31644) is a gadolinium coordination entity (CHEBI:35730)
gadolinium 8,11-bis(carboxylatomethyl)-14-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oate
Synonym Source
gadoversetamide ChemIDplus
Brand Name Source
OptiMARK DrugBank
Manual Xrefs Databases
DB00538 DrugBank
Gadoversetamide Wikipedia
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Registry Numbers Types Sources
11736544 Reaxys Registry Number Reaxys
131069-91-5 CAS Registry Number ChemIDplus
1701622 Gmelin Registry Number Gmelin
Last Modified
18 November 2011