Ioxilan
Grundinformationen
- 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- Summenformel
- C18H24I3N3O8
- Durchschnittliche Molmasse
- 791,1 g/mol
- Monoisotopische Masse
- 790,8698
Überblick
Ioxilan is an amidobenzoic acid.
Namen und Bezeichner
- Bevorzugter 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
- Englischer Name
- IOXILAN (400 MG)
- Summenformel
- C18H24I3N3O8
- Molmasse
- 791.11
Namen und Synonyme
ioxilan107793-72-6OxilanIoxitolIoxilaneIoxilanumOxilan-300Oxilan-350LoxilanDTXSID0048717A4YJ7J11TGNSC-760056
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,4
- Polarare Oberfläche (TPSA)
- 180 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 647
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Contrast Media; Diagnostic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Siedepunkt
- 827.8 · 827.8±65.0 °C(Predicted)
- Dichte
- 2.205 · 2.205±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 250 mg/mL · DMSO: ≥ 250 mg/mL (316.01 mM)
- pka
- 11.47 · 11.47±0.46(Predicted)
- Aggregatzustand
- Solid
- Farbe
- 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2924296000
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
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.
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