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CHEBI:73727 - gadoterate meglumine

ChEBI IDCHEBI:73727
ChEBI Namegadoterate meglumine
Stars
DefinitionAn organoammonium salt obtained by reaction of gadoteric acid with one equivalent of 1-deoxy-1-(methylamino)-D-glucitol (meglumine). It is used 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.C7H17NO5
Net Charge0
Average Mass753.861
Monoisotopic Mass754.20202
SMILESCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=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.C7H17NO5.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;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);4-13H,2-3H2,1H3;/q;;+3/p-3/t;4-,5+,6+,7+;/m.0./s1
InChIKeyRYHQMKVRYNEBNJ-BMWGJIJESA-K
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
gadoterate meglumine (CHEBI:73727) has part gadoterate (CHEBI:73735)
gadoterate meglumine (CHEBI:73727) has role MRI contrast agent (CHEBI:37335)
gadoterate meglumine (CHEBI:73727) is a gadolinium coordination entity (CHEBI:35730)
gadoterate meglumine (CHEBI:73727) is a organoammonium salt (CHEBI:46850)
IUPAC Names 
[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-κ4N1,N4,N7,N10)tetraacetato(3−)]gadolinium—1-deoxy-1-(methylamino)-D-glucitol (1/1)
1-deoxy-1-(methylazaniumyl)-D-glucitol [2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-κ4N1,N4,N7,N10)tetraacetato(4−)]gadolinate(1−)
Synonyms  Source
Meglumine gadoterateKEGG DRUG
Meglumine gadopentateKEGG DRUG
Gd-DOTA meglumineChemIDplus
Gadolinium-DOTA meglumineChemIDplus
Manual XrefsDatabases
D03355KEGG DRUG
Gadoteric_acidWikipedia
Registry NumbersSources
CAS:92943-93-6KEGG DRUG
CAS:92943-93-6ChemIDplus
Citations