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CHEBI:135999 - ioglicic acid

ChEBI IDCHEBI:135999
ChEBI Nameioglicic acid
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC13H12I3N3O5
Net Charge0
Average Mass670.967
Monoisotopic Mass670.79111
SMILESCNC(=O)CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
InChIInChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)
InChIKeyHHFIATHHSBFCBY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ioglicic acid (CHEBI:135999) is a amidobenzoic acid (CHEBI:48470)
Synonym  Source
ioglicinateDrugCentral
Manual XrefsDatabases
4580DrugCentral
Registry NumbersSources
CAS:49755-67-1DrugCentral