API reference

Iohexol

CAS number
66108-95-0
Molecular formula
C19H26I3N3O9
Molecular weight
821.1 g/mol
Iohexol — 2D structure
2D structure (PubChem)

About this molecule

Iohexol is 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. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound and a benzenedicarboxamide.

Source: ChEBI, via PubChem.

Identifiers

IUPAC name
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChIKey
NTHXOOBQLCIOLC-UHFFFAOYSA-N
SMILES
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
PubChem CID
3730

Also known as

iohexol · Omnipaque · Iohexolum · Omnipaque 240 · Omnipaque 140 · Omnipaque 180 · Omnipaque 300 · Omnipaque 350

Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.

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