EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73732 - gadoteric acid

ChEBI IDCHEBI:73732
ChEBI Namegadoteric acid
Stars
DefinitionA 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.
Last Modified21 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC16H25GdN4O8
Net Charge0
Average Mass558.646
Monoisotopic Mass559.09134
SMILESO=C([O-])C[N+]12CC[N+]3(CC(=O)[O-])CC[N+]4(CC(=O)O)CC[N+](CC(=O)[O-])(CC1)[Gd-]234
InChIInChI=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
InChIKeyGFSTXYOTEVLASN-UHFFFAOYSA-K
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 acidKEGG DRUG
Synonyms  Source
Gd-DOTAChEBI
DOTA-GdChEBI
Manual XrefsDatabases
D08007KEGG DRUG
WO2005070400Patent
Gadoteric_acidWikipedia
Registry NumbersSources
Reaxys:17968462Reaxys
CAS:72573-82-1KEGG DRUG
CAS:72573-82-1ChemIDplus
Citations