Ioxilan - ≥98% , Diagnostic agent, CAS No.107793-72-6, Diagnostic agent

CAS: 107793-72-6 Cat. No.: I646147 Molecular Weight: 791.11 PubChem CID: 3743
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
A4YJ7J11TG | IOXILAN [JAN] | Ioxilane | UNII-A4YJ7J11TG | V08AB12 | IOXILAN [INN] | NSC 760056 | SR-01000883963-1 | Ioxilan(400 mg) | Imagenil | IOXILAN [USP-RS] | 1,3-BENZENEDICARBOXAMIDE, 5-(ACETYL(2,3-DIHYDROXYPROPYL)AMINO)-N1-(2,3-DIHYDROXYPROPYL)-N3-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
I646147-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$220.90
10mg
I646147-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$350.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Ioxilan is a low-osmolar, nonionic and tri-iodinated diagnostic contrast agent. Ioxilan is also an X-ray contrast agent for excretory urography and contrast enhanced computed tomographic (CECT) imaging of the head and body. Intravascular injection results in opacification of vessels in the path of flow of the contrast medium, permitting radiographic visualization of the internal structures of the human body until significant hemodilution occurs .

In Vitro

As a low-osmolar nonionic monomer, Ioxilan increases the safety and tolerance of X-ray contrast agents. The development of Ioxilan is based on the introduction of a double methylene as a hydrophobic region and masking it with a hydrophilic hydroxyl group could lower the osmolality without adversely affecting the biological tolerance. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Rapid intravenous injection of water-soluble X-ray contrast agents (Ioxilan) can be performed with dynamic computed tomography to improve the detectability of liver lesions. When injected intravenously, water-soluble, intravenous X-ray contrast agents are largely distributed in the extracellular fluid space and excreted unchanged by the kidneys. Contrast enhancement of a region of interest depends on the route of administration, delivery of the agent to the area by blood flow, and the final iodine concentration in the region . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms
A4YJ7J11TG | IOXILAN [JAN] | Ioxilane | UNII-A4YJ7J11TG | V08AB12 | IOXILAN [INN] | NSC 760056 | SR-01000883963-1 | Ioxilan(400 mg) | Imagenil | IOXILAN [USP-RS] | 1, 3-BENZENEDICARBOXAMIDE, 5-(ACETYL(2, 3-DIHYDROXYPROPYL)AMINO)-N1-(2, 3-DIHYDROXYPROPYL)-N3-
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Ioxilan is a low-osmolar, nonionic and tri-iodinated diagnostic contrast agent. Ioxilan is also an X-ray contrast agent for excretory urography and contrast enhanced computed tomographic (CECT) imaging of the head and body. Intravascular injection results
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Diagnostic agent
Purity
≥98%
Product Properties
ALogP-2.4
Names and Identifiers
Canonical SmilesCC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I
IUPAC Name5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChIKeyUUMLTINZBQPNGF-UHFFFAOYSA-N
INCHI1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)
Isomeric SMILES CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I
PubChem CID 3743
Molecular Weight 791.11

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAcylaminobenzoic acid and derivatives
Alternative Parents O-haloacetanilides  P-haloacetanilides  2-halobenzoic acids and derivatives  4-halobenzoic acids and derivatives  Benzamides  Benzoyl derivatives  N-acylethanolamines  Iodobenzenes  Aryl iodides  Tertiary carboxylic acid amides  Vinylogous halides  Acetamides  Secondary alcohols  Secondary carboxylic acid amides  Organoiodides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organopnictogen compounds  Primary alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Acylaminobenzoic acid or derivatives - O-haloacetanilide - P-haloacetanilide - Haloacetanilide - Acetanilide - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Anilide - N-acylethanolamine - Benzoyl - Halobenzene - Iodobenzene - Aryl iodide - Aryl halide - Acetamide - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Organohalogen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : ≥ 250 mg/mL (316.01 mM)
Molecular Weight791.100 g/mol
XLogP3-2.400
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass790.87 Da
Monoisotopic Mass790.87 Da
Topological Polar Surface Area180.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity647.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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