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 WIN 39424 WIN-39424
Status
Molecule Category	Free-form
ATC	V08AB02
UNII	4419T9MX03
EPA CompTox	DTXSID6023157


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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)

Physicochemical Descriptors

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

Bioactivity

Mechanism of Action	Action	Reference
Diagnostic agent	None	FDA

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Hungary
Romania

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).