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
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
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
6250226 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15206581 PubMed citation Europe PMC
23359781 PubMed citation Europe PMC
23518934 PubMed citation Europe PMC
23608563 PubMed citation Europe PMC
24060817 PubMed citation Europe PMC
24091357 PubMed citation Europe PMC
24570337 PubMed citation Europe PMC
Last Modified
22 February 2017