CHEBI:31701 - iobitridol

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ChEBI Name iobitridol
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 3-hydroxy-2-(hydroxymethyl)propanimido at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H28I3N3O9
Net Charge 0
Average Mass 835.16440
Monoisotopic Mass 834.89596
InChI InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)
SMILES CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(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 iobitridol (CHEBI:31701) has role environmental contaminant (CHEBI:78298)
iobitridol (CHEBI:31701) has role radioopaque medium (CHEBI:37338)
iobitridol (CHEBI:31701) has role xenobiotic (CHEBI:35703)
iobitridol (CHEBI:31701) is a benzenedicarboxamide (CHEBI:38800)
iobitridol (CHEBI:31701) is a hexol (CHEBI:37206)
iobitridol (CHEBI:31701) is a organoiodine compound (CHEBI:37142)
Synonym Source
N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide ChemIDplus
Manual Xrefs Databases
1449 DrugCentral
Iobitridol Wikipedia
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Registry Numbers Types Sources
136949-58-1 CAS Registry Number ChemIDplus
8178996 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23341290 PubMed citation Europe PMC
24531005 PubMed citation Europe PMC
25238643 PubMed citation Europe PMC
Last Modified
22 February 2017