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CHEBI:31716 - Iotroxic acid

Default Structure
ChEBI IDCHEBI:31716
ChEBI NameIotroxic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H18I6N2O9
Net Charge0
Average Mass1215.815
Monoisotopic Mass1215.52807
SMILESO=C(COCCOCCOCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
InChIInChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKeyJXMIBUGMYLQZGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Iotroxic acid (CHEBI:31716) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
biliscopinDrugCentral
Iotroxic acidKEGG COMPOUND
Manual XrefsDatabases
3991DrugCentral
D01388KEGG DRUG
Registry NumbersSources
CAS:51022-74-3KEGG COMPOUND