基本情報
- CAS
107793-72-6- 標準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- 分子式
- C18H24I3N3O8
- 平均分子量
- 791.1 g/mol
- 単同位体質量
- 790.8698
概要
Ioxilan is an amidobenzoic acid.
名称と識別子
- 優先名称
- Ioxilan
- IUPAC
- 5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- 現地名
- イオキシラン
- 英語名
- IOXILAN (400 MG)
- 分子式
- C18H24I3N3O8
- 分子量
- 791.11
名称と別名
ioxilan107793-72-6OxilanIoxitolIoxilaneIoxilanumOxilan-300Oxilan-350LoxilanDTXSID0048717A4YJ7J11TGNSC-760056
名称をさらに表示
イオキシラン (JAN)イマジニールN1-(2,3-ジヒドロキシプロピル)-5-[N-(2,3-ジヒドロキシプロピル)アセトアミド]-N3-(2-ヒドロキシエチル)-2,4,6-トリヨードベンゼン-1,3-ジカルボキサミドN-(2,3-ジヒドロキシプロピル)-5-[N-(2,3-ジヒドロキシプロピル)アセチルアミノ]-N′-(2-ヒドロキシエチル)-2,4,6-トリヨードイソフタルアミド5-[アセチル(2,3-ジヒドロキシプロピル)アミノ]-N-(2,3-ジヒドロキシプロピル)-N′-(2-ヒドロキシエチル)-2,4,6-トリヨード-1,3-ベンゼンジカルボアミドイオキシラン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-
物性
構造計算による物性
- XLogP
- -2.4
- 極性表面積
- 180 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 8
- 回転可能結合数
- 11
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 647
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Contrast Media; Diagnostic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 沸点
- 827.8 · 827.8±65.0 °C(Predicted)
- 比重(密度)
- 2.205 · 2.205±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 250 mg/mL · DMSO: ≥ 250 mg/mL (316.01 mM)
- 酸解離定数(Pka)
- 11.47 · 11.47±0.46(Predicted)
- 外見
- Solid
- 色
- White to off-white
- 主な用途
- 医薬品（低分子化合物）
- 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
- SMILES
- Ic1c(c(c(c(c1C(=O)NCC(O)CO)I)C(=O)NCCO)I)N(CC(O)CO)C(=O)C
- EPAの化学物質情報
- 1 · 1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1-(2,3-dihydroxypropyl)-N3-(2-hydroxyethyl)-2,4,6-triiodo- (107793-72-6)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- WGK 3
- hs_code
- 2924296000
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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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