IOHEXOL


Trade Names	OMNIPAQUE 12 OMNIPAQUE 140 OMNIPAQUE 180 OMNIPAQUE 210 OMNIPAQUE 240 OMNIPAQUE 300 OMNIPAQUE 350 OMNIPAQUE 70 OMNIPAQUE 9 ORALTAG
Synonyms	Exypaque Iohexol Iohexolum NSC-759636 Omnipaque Omnipaque 12 Omnipaque 140 Omnipaque 180 Omnipaque 210 Omnipaque 240 Omnipaque 300 Omnipaque 350 Omnipaque 70 Omnipaque 9 Oraltag
Status
Molecule Category	Free-form
ATC	V08AB02
UNII	4419T9MX03
EPA CompTox	DTXSID6023157


InChI Key	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
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)

Property Name	Value
Molecular Formula	C19H26I3N3O9
Molecular Weight	821.14
AlogP	-1.63
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	12.0
Polar Surface Area	199.89
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	34.0

Mechanism of Action	Action	Reference
Diagnostic agent	None	FDA

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Croatia
Hungary
Romania

Resources	Reference
ChEBI	31709
ChEMBL	CHEMBL1200455
DrugBank	DB01362
DrugCentral	1461
FDA SRS	4419T9MX03
Human Metabolome Database	HMDB0015449
PharmGKB	PA450061
PubChem	3730
SureChEMBL	SCHEMBL26501

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

IOHEXOL

Structure

Physicochemical Descriptors

Pharmacology

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Environmental Exposure

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