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

CAS: 107793-72-6 Cat. No.: I646147 Formule: C₁₈H₂₄I₃N₃O₈ Poids moléculaire: 791.11 PubChem CID: 3743

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

Vue d’ensemble

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

Synonymes

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-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Mécanisme d'action

Diagnostic agent

Pureté

≥98%

Propriétés du produit

ALogP

-2.4

Noms et identifiants

Sourires canoniques

CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I

IUPAC Name

5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

InChIKey

UUMLTINZBQPNGF-UHFFFAOYSA-N

INCHI

1S/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)

Isomères 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

Poids moléculaire

791.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic 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 Framework: Aromatic 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
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 250 mg/mL (316.01 mM)
• Poids moléculaire: 791.100 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 790.87 Da
• Monoisotopic Mass: 790.87 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 107793-72-6, the molecular formula is C18H24I3N3O8, and the molecular weight is 791.11 g/mol. InChIKey UUMLTINZBQPNGF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.