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CHEBI:31176 - adipiodone

ChEBI IDCHEBI:31176
ChEBI Nameadipiodone
Stars
DefinitionAn organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography.
Secondary ChEBI IDCHEBI:43294
Last Modified10 October 2019
DownloadsMolfile
FormulaC20H14I6N2O6
Net Charge0
Average Mass1139.764
Monoisotopic Mass1139.51202
SMILESO=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
InChIInChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKeyFFINMCNLQNTKLU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
ChEBI Ontology
Outgoing Relation(s)
adipiodone (CHEBI:31176) has role radioopaque medium (CHEBI:37338)
adipiodone (CHEBI:31176) is a benzoic acids (CHEBI:22723)
adipiodone (CHEBI:31176) is a organoiodine compound (CHEBI:37142)
adipiodone (CHEBI:31176) is a secondary carboxamide (CHEBI:140325)
adipiodone (CHEBI:31176) is conjugate acid of adipiodone(2−) (CHEBI:145091)
Incoming Relation(s)
adipiodone(2−) (CHEBI:145091) is conjugate base of adipiodone (CHEBI:31176)
IUPAC Name 
3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)
INNs  Source
adipiodonaWHO MedNet
adipiodonumWHO MedNet
adipiodoneWHO MedNet
adipiodoneWHO MedNet
Synonyms  Source
3,3'-(adipoyldiimino)bis(2,4,6-triiodobenzoic acid)DrugBank
adipiodonChemIDplus
iodipamideWHO MedNet
bilignostumWHO MedNet
bilignostChemIDplus
biligrafinChemIDplus
Brand Names  Source
CholografinLINCS
CholospectChemIDplus
TransbilixChemIDplus
Manual XrefsDatabases
IDBPDBeChem
AdipiodoneWikipedia
D01774KEGG DRUG
LSM-3496LINCS
1455DrugCentral
HMDB0015581HMDB
DB04711DrugBank
Registry NumbersSources
Beilstein:2230896Beilstein
CAS:606-17-7KEGG COMPOUND
CAS:606-17-7ChemIDplus
Citations