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CHEBI:31813 - Meglumine sodium amidotrizoate

ChEBI IDCHEBI:31813
ChEBI NameMeglumine sodium amidotrizoate
Stars
Last Modified16 October 2019
DownloadsMolfile
FormulaC11H8I3N2O4.C11H9I3N2O4.C7H17NO5.Na
Net Charge0
Average Mass1445.027
Monoisotopic Mass1444.63192
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
InChIInChI=1S/2C11H9I3N2O4.C7H17NO5.Na/c2*1-3(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;/h2*1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3;/q;;;+1/p-1/t;;4-,5+,6+,7+;/m..0./s1
InChIKeyXZNXVSDNACTASG-RZNNTOFGSA-M
ChEBI Ontology
Outgoing Relation(s)
Meglumine sodium amidotrizoate (CHEBI:31813) is a polymer (CHEBI:60027)
Synonyms  Source
Meglumine sodium amidotrizoateKEGG COMPOUND
UrovisionKEGG COMPOUND
Manual XrefsDatabases
C13429KEGG COMPOUND
D01940KEGG DRUG
Registry NumbersSources
CAS:8064-12-8KEGG COMPOUND