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gadoversetamide
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.


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08. Chemical Category: transition element molecular entity [CHEBI:33497] > f-block molecular entity [CHEBI:33677] > lanthanoid molecular entity [CHEBI:33775]
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05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 diagnostic agent [CHEBI:33295] (53) 
 diagnostic imaging agent [CHEBI:37334] (32) 
 MRI contrast agent [CHEBI:37335] (9) 
 gadoversetamide [CHEBI:31644] (1)
08. Chemical Category 
08. Chemical Category
 transition element molecular entity [CHEBI:33497] (536) 
 f-block molecular entity [CHEBI:33677] (36) 
 lanthanoid molecular entity [CHEBI:33775] (22) 
 lanthanoid coordination entity [CHEBI:35728] (17) 
 gadolinium coordination entity [CHEBI:35730] (13) 
 gadoversetamide [CHEBI:31644] (1)
 gadolinium molecular entity [CHEBI:35729] (15) 
 gadolinium coordination entity [CHEBI:35730] (13) 
 gadoversetamide [CHEBI:31644] (1)
ChEBI Compound Accession Identifier  [CHEBI:31644]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  31644
ChEBI InChI Value  "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"
ChEBI InChIKey Value  HBEAOBRDTOXWRZ-UHFFFAOYSA-K
ChEBI Compound Name  gadoversetamide
ChEBI SMILES Value  [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O
ChEBI Substance ID  135610207
ChEBI URL  ChEBI:31644
ChemSpider ID  392041
Ontomatica Chemical Accession Key (OnChAKey)  HBEAOBRDTOXWRZ_UHFFFAOYSA_K_000_000000
PubChem Compound ID  444013