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CHEBI:91662 - 3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid

ChEBI IDCHEBI:91662
ChEBI Name3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H13I3N2O3
Net Charge0
Average Mass613.959
Monoisotopic Mass613.80604
SMILESCC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
InChIInChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)
InChIKeyGSVQIUGOUKJHRC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid (CHEBI:91662) is a aromatic amide (CHEBI:62733)
Synonym  Source
cholebrineDrugCentral
Manual XrefsDatabases
LSM-1498LINCS
1451DrugCentral
Registry NumbersSources
CAS:16034-77-8DrugCentral