Basic information
- CAS
107793-72-6- Standard SMILES
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
UUMLTINZBQPNGF-UHFFFAOYSA-N- Molecular formula
- C18H24I3N3O8
- Average molar mass
- 791.1 g/mol
- Monoisotopic mass
- 790.8698
Overview
Ioxilan is an amidobenzoic acid.
Names & identifiers
- Preferred name
- Ioxilan
- IUPAC
- 5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- English name
- IOXILAN (400 MG)
- Molecular formula
- C18H24I3N3O8
- Molecular weight
- 791.11
Names & synonyms
ioxilan107793-72-6OxilanIoxitolIoxilaneIoxilanumOxilan-300Oxilan-350LoxilanDTXSID0048717A4YJ7J11TGNSC-760056
Show more names
Oxilan 300IOXILAN (400 MG)Ioxilan (1345206)5-[Acetyl(2,3-dihydroxypropyl)aMino]-N1-(2,3-dihydroxypropyl)-N3-(2-hydroxyethyl)-2,4,6-triiodo-1,3-benzenedicarboxaMide1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-(2-hydroxyethyl)-2,4,6-triiodo-1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1-(2,3-dihydroxypropyl)-N3-(2-hydroxyethyl)-2,4,6-triiodo-5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
N-(2,3-Dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-N'-(2-hydroxyethyl)-2,4,6-triiodoisophthalamideDTXCID70286431,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N-(2,3-dihydroxypropyl)-N'-(2-hydroxyethyl)-2,4,6-triiodo-N1-(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-N3-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamideN1-(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-N3-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamideRefChem:57668V08AB125-(N-2,3-dihydroxypropylacetamido)-2,4,6-triiodo-N-(2-hydroxyethyl)-N'-(2,3-dihydroxypropyl)isophthalamide
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 647
Experimental & physicochemical properties
Human Drugs
Breast Feeding; Lactation; Milk, Human; Contrast Media; Diagnostic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Boiling point
- 827.8 · 827.8±65.0 °C(Predicted)
- Density
- 2.205 · 2.205±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: ≥ 250 mg/mL (316.01 mM)
- pka
- 11.47 · 11.47±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- Major Application
- pharmaceutical (small molecule)
- 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)
- InChIKey
- UUMLTINZBQPNGF-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- wgk
- WGK 3
- hs_code
- 2924296000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
V - Various
QV - Various
Protein BindingBinding of ioxilan to plasma protein is negligible.
PharmacodynamicsAs with other iodinated contrast agents the degree of contrast enhancement is directly related to the iodine content in the administered dose.
Mechanism of ActionIntravascular 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.
Biological Half-LifeAn initial fast distribution phase with a half-life of 13.1 ± 4.2 minutes (women) or 23.5 ± 15.3 minutes (men) was followed by an elimination phase with a half-life of 102.0 ± 16.9 minutes (women) and 137 ± 35.4 minutes (men).
Metabolism/MetabolitesThere is no evidence for metabolism.
FDA Pharmacological Classification
A4YJ7J11TG
IOXILAN
Established Pharmacologic Class [EPC] - Radiographic Contrast Agent
Mechanisms of Action [MoA] - X-Ray Contrast Activity
Ioxilan is a Radiographic Contrast Agent. The mechanism of action of ioxilan is as a X-Ray Contrast Activity.
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Absorption, Distribution and Excretion
Peak iodine plasma levels occur immediately following rapid intravenous injection. Iodine plasma levels fall rapidly within 5 to 10 minutes. This can be accounted for by the dilution in the vascular and extravascular fluid compartments.
The average amount of ioxilan excreted unchanged in urine at 24 hours represents 93.7% of the dose in young healthy subjects (21-27 years) after intravenous administration. This finding suggests that, compared to the renal excretion, biliary and/or gastrointestinal excretion are not important.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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