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CHEBI:31711 - iopamidol

ChEBI IDCHEBI:31711
ChEBI Nameiopamidol
Stars
DefinitionA benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position.
Secondary ChEBI IDCHEBI:75986
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H22I3N3O8
Net Charge0
Average Mass777.088
Monoisotopic Mass776.85411
SMILESC[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
InChIInChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1
InChIKeyXQZXYNRDCRIARQ-LURJTMIESA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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)
iopamidol (CHEBI:31711) has role environmental contaminant (CHEBI:78298)
iopamidol (CHEBI:31711) has role radioopaque medium (CHEBI:37338)
iopamidol (CHEBI:31711) has role xenobiotic (CHEBI:35703)
iopamidol (CHEBI:31711) is a benzenedicarboxamide (CHEBI:38800)
iopamidol (CHEBI:31711) is a organoiodine compound (CHEBI:37142)
iopamidol (CHEBI:31711) is a pentol (CHEBI:37205)
IUPAC Name 
N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide
INNs  Source
iopamidolChemIDplus
iopamidolumChemIDplus
iopamidolWHO MedNet
iopamidolWHO MedNet
Synonyms  Source
(S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamideChemIDplus
L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamideChemIDplus
L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide)ChemIDplus
Manual XrefsDatabases
D01797KEGG DRUG
IopamidolWikipedia
LSM-5833LINCS
1464DrugCentral
Registry NumbersSources
Reaxys:6250226Reaxys
CAS:60166-93-0KEGG DRUG
CAS:60166-93-0ChemIDplus
Citations