CHEBI:73732 - gadoteric acid

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ChEBI Name gadoteric acid
ChEBI ID CHEBI:73732
Definition A gadolinium coordination entity consisting of DOTA in which the four amino groups are bound to a central gadolinium atom. It is used (as its meglumine salt) in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H25GdN4O8
Net Charge 0
Average Mass 558.64000
Monoisotopic Mass 559.09135
InChI InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
InChIKey GFSTXYOTEVLASN-UHFFFAOYSA-K
SMILES OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O
Roles Classification
Application(s): MRI contrast agent

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ChEBI Ontology
Outgoing gadoteric acid (CHEBI:73732) has role MRI contrast agent (CHEBI:37335)
gadoteric acid (CHEBI:73732) is a gadolinium coordination entity (CHEBI:35730)
gadoteric acid (CHEBI:73732) is conjugate acid of gadoterate (CHEBI:73735)
Incoming gadoterate (CHEBI:73735) is conjugate base of gadoteric acid (CHEBI:73732)
IUPAC Name
[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-κ4N1,N4,N7,N10)tetraacetato(3−)]gadolinium
INN Source
gadoteric acid KEGG DRUG
Synonyms Sources
DOTA-Gd ChEBI
Gd-DOTA ChEBI
Manual Xrefs Databases
D08007 KEGG DRUG
Gadoteric_acid Wikipedia
WO2005070400 Patent
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Registry Numbers Types Sources
17968462 Reaxys Registry Number Reaxys
72573-82-1 CAS Registry Number ChemIDplus
72573-82-1 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
18090230 PubMed citation Europe PMC
21555197 PubMed citation Europe PMC
21786126 PubMed citation Europe PMC
22760854 PubMed citation Europe PMC
PMC3106454 PubMed Central citation Europe PMC
Last Modified
21 May 2013