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CHEBI:31700 - Iobenzamic acid

Default Structure
ChEBI IDCHEBI:31700
ChEBI NameIobenzamic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H13I3N2O3
Net Charge0
Average Mass662.003
Monoisotopic Mass661.80604
SMILESNc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I
InChIInChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)
InChIKeyFJYJNLIEGUTPIJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Iobenzamic acid (CHEBI:31700) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Iobenzamic acidKEGG COMPOUND
Manual XrefsDatabases
3759DrugCentral
D01313KEGG DRUG
Registry NumbersSources
CAS:3115-05-7KEGG COMPOUND