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CHEBI:31812 - meglumine amidotrizoate

ChEBI IDCHEBI:31812
ChEBI Namemeglumine amidotrizoate
Stars
DefinitionThe N-methylglucamine salt of amidotrizoic acid. Both the sodium and the meglumine salts of amidotrizoic acid have been widely used as water-soluble radioopaque media in diagnostic radiography. The use of a mixture of the two salts is often preferred, as adverse effects can be reduced.
Last Modified13 July 2010
DownloadsMolfile
FormulaC11H8I3N2O4.C7H18NO5
Net Charge0
Average Mass809.130
Monoisotopic Mass808.88032
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChIKeyMIKKOBKEXMRYFQ-WZTVWXICSA-N
Roles Classification
Application:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
ChEBI Ontology
Outgoing Relation(s)
meglumine amidotrizoate (CHEBI:31812) has part N-methylglucamine (CHEBI:59732)
meglumine amidotrizoate (CHEBI:31812) has part amidotrizoic acid anion (CHEBI:59731)
meglumine amidotrizoate (CHEBI:31812) has role radioopaque medium (CHEBI:37338)
meglumine amidotrizoate (CHEBI:31812) is a monocarboxylic acid anion (CHEBI:35757)
IUPAC Name 
1-deoxy-1-(methylammonio)-D-glucitol 3,5-bis(acetylamino)-2,4,6-triiodobenzoate
Synonyms  Source
1-deoxy-1-(methylamino)-D-glucitol 3,5-diacetamido-2,4,6-triiodobenzoateChemIDplus
amidotrizoate meglumineChemIDplus
diatrizoate methylglucamineChemIDplus
meglumine diatrizoateChemIDplus
methylglucamine diatrizoateChemIDplus
diatrizoate meglumineChemIDplus
Manual XrefsDatabases
D02015KEGG DRUG
DB00271DrugBank
Registry NumbersSources
Beilstein:4120465Beilstein
CAS:131-49-7KEGG DRUG
CAS:131-49-7ChemIDplus