CHEBI:31711 - iopamidol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name iopamidol
ChEBI ID CHEBI:31711
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:75986
Supplier Information ZINC000004654733
Download Molfile XML SDF
Wikipedia License
Iopamidol (INN), sold under the brand name Isovue among others, is a nonionic, low-osmolar iodinated contrast agent, developed by Bracco Diagnostics. It is available in various concentrations, from 200 to 370 mgI/mL.
Read full article at Wikipedia
Formula C17H22I3N3O8
Net Charge 0
Average Mass 777.08530
Monoisotopic Mass 776.85410
InChI InChI=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
InChIKey XQZXYNRDCRIARQ-LURJTMIESA-N
SMILES C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): radioopaque medium
A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
iopamidol ChemIDplus
iopamidol WHO MedNet
iopamidol WHO MedNet
iopamidolum ChemIDplus
Synonyms Sources
(S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide ChemIDplus
L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide ChemIDplus
L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide) ChemIDplus
Manual Xrefs Databases
1464 DrugCentral
D01797 KEGG DRUG
Iopamidol Wikipedia
LSM-5833 LINCS
View more database links
Registry Numbers Types Sources
60166-93-0 CAS Registry Number KEGG DRUG
60166-93-0 CAS Registry Number ChemIDplus
6250226 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
22 February 2017