CHEBI:31709 - iohexol

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ChEBI Name iohexol
ChEBI ID CHEBI:31709
Definition A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2262877, eMolecules:537156
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Iohexol, sold under the trade name Iodaque among others, is a contrast agent used for X-ray imaging. This includes when visualizing arteries, veins, ventricles of the brain, the urinary system, and joints, as well as during computed tomography (CT scan). It is given by mouth, injection into a vein, or into a body cavity. Side effects include vomiting, skin flushing, headache, itchiness, kidney problems, and low blood pressure. Less commonly allergic reactions or seizures may occur. Allergies to povidone-iodine or shellfish do not affect the risk of side effects more than other allergies. Use in the later part of pregnancy may cause hypothyroidism in the baby. Iohexol is an iodinated non-ionic radiocontrast agent. It is in the low osmolar family. Iohexol was approved for medical use in 1985. It is on the World Health Organization's List of Essential Medicines.
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Formula C19H26I3N3O9
Net Charge 0
Average Mass 821.13790
Monoisotopic Mass 820.88031
InChI InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
InChIKey NTHXOOBQLCIOLC-UHFFFAOYSA-N
SMILES CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)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.
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ChEBI Ontology
Outgoing iohexol (CHEBI:31709) has role environmental contaminant (CHEBI:78298)
iohexol (CHEBI:31709) has role radioopaque medium (CHEBI:37338)
iohexol (CHEBI:31709) has role xenobiotic (CHEBI:35703)
iohexol (CHEBI:31709) is a benzenedicarboxamide (CHEBI:38800)
iohexol (CHEBI:31709) is a organoiodine compound (CHEBI:37142)
IUPAC Name
5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
INNs Sources
iohexol KEGG DRUG
iohexolum ChemIDplus
Synonym Source
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide ChemIDplus
Manual Xrefs Databases
1461 DrugCentral
D01817 KEGG DRUG
Iohexol Wikipedia
LSM-5095 LINCS
View more database links
Registry Numbers Types Sources
2406632 Reaxys Registry Number Reaxys
66108-95-0 CAS Registry Number KEGG DRUG
66108-95-0 CAS Registry Number ChemIDplus
Citations
Last Modified
22 February 2017