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Iohexol chemical structure, C19H26I3N3O9, CAS 66108-95-0
2D chemical structure

Key facts

What buyers check first

CAS number
66108-95-0
Formula
C19H26I3N3O9
Molar mass
821.14 g/mol
EC number
266-164-2
HS code
292429
Category
Other active pharmaceutical ingredients

What is Iohexol?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CAS number
66108-95-0 CAS number cross-checked
EC number
266-164-2
Molecular formula
C19H26I3N3O9
UNII
4419T9MX03
MDL number
MFCD00077732
InChIKey
NTHXOOBQLCIOLC-UHFFFAOYSA-N
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)
SMILES (canonical and isomeric)
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

Synonyms

  • Omnipaque
  • Iohexolum
  • Omnipaque 240
  • Omnipaque 140
  • Omnipaque 180
  • Omnipaque 300
  • Omnipaque 350
  • Omnipaque 70
  • Omnipaque 210
  • Oraltag
  • WIN 39424
  • ioexolo
  • N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
  • Omnipaque 9
  • Omnipaque 12
  • 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 1,3-benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • Iohexol 350
  • 1-N,3-N-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
  • n,n'-bis(2,3-dihydroxypropyl)-5-[n-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodoisophthalamide
  • Exypaque
  • Nycodenz
  • N1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
  • 5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
Show all 37 synonyms
  • 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • 5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • Histodenz
  • N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
  • Accudenz
  • 1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5-(N-2-3-DIHYDROXYPROPYL-ACETMIDO)-2,4,6-TRIIODO-N,N'-bis-(2,3-DIHYDROXYPROPYL)-ISOPHTHALAMIDE
  • 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • 5-[N-(2,3-Dihydroxypropyl)acetamido]-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
  • Iohexol CRS
  • Omnipaque (TN)
  • 1,3-Benzenedicarboxamide, 5-[acetyl(2,3- dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6- triiodo

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
821.14 g/molcalc.
Exact mass
820.8803 Dacalc.
LogP (octanol/water)
-1.63calc.
Topological polar surface area
199.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
12calc.
Heavy atoms
34calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Iohexol suppliers

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Iohexol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Contrast Media

Roles

  • anti-HIV agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • cardiovascular drug
  • diagnostic agent
  • diagnostic imaging agent
  • environmental contaminant
  • pharmaceutical
  • protective agent
  • radioopaque medium
  • renoprotective agent
  • xenobiotic

Functional uses

  • Pharmaceutical

Pharmacology

Iohexol is a Radiographic Contrast Agent. The mechanism of action of iohexol is as a X-Ray Contrast Activity.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Iohexol is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Iohexol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Iohexol, based on the data on this page

What is Iohexol?

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.

What is the CAS number of Iohexol?

The CAS registry number of Iohexol is 66108-95-0.

What is the molecular formula and weight of Iohexol?

The molecular formula of Iohexol is C19H26I3N3O9 and its molar mass is 821.14 g/mol.

What is Iohexol used for?

Known uses and roles of Iohexol include anti-hiv agent, antimicrobial agent, antineoplastic agent, antiviral agent, cardiovascular drug and 9 more.

Is Iohexol hazardous?

Iohexol carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Iohexol?

Iohexol is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iohexol?

CompoundList lists 111 suppliers of Iohexol in China, United States, Germany, United Kingdom and 12 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Iohexol in India?

6 suppliers in India list Iohexol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Iohexol?

Suppliers quote Iohexol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Iohexol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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