基本情報
- CAS
8771-40-2- 標準SMILES
O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I- InChIKey
AMDBBAQNWSUWGN-UHFFFAOYSA-N- 分子式
- C18H24I3N3O9
- 平均分子量
- 807.1 g/mol
- 単同位体質量
- 806.8647
概要
Ioversol is an amidobenzoic acid.
名称と識別子
- 優先名称
- Ioversol
- IUPAC
- 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
- 現地名
- イオベルソール
- 英語名
- Ioversol
- 分子式
- C18H24I3N3O9
- 分子量
- 807.11
名称と別名
ioversol87771-40-2OptirayMP-328Optiray 320IoversolumOptiray 160Optiray 240Optiray 300Optiray 350DTXSID2045521MP 328
名称をさらに表示
N,N'-ビス(2,3-ジヒドロキシプロピル)-5-[(2-ヒドロキシエチル)(ヒドロキシアセチル)アミノ]-2,4,6-トリヨードイソフタルアミドオプチレイイオベルソールN,N'-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-[(2-ヒドロキシエチル)(ヒドロキシアセチル)アミノ]イソフタルアミドイオベルソルイオベルソール (JAN)N,N′-ビス(2,3-ジヒドロキシプロピル)-5-[(2-ヒドロキシエチル)(ヒドロキシアセチル)アミノ]-2,4,6-トリヨードイソフタルアミドN,N′-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-[(2-ヒドロキシエチル)(ヒドロキシアセチル)アミノ]イソフタルアミドN1,N3-ビス(2,3-ジヒドロキシプロピル)-5-[2-ヒドロキシ-N-(2-ヒドロキシエチル)アセトアミド]-2,4,6-トリヨードベンゼン-1,3-ジカルボキサミドLoversolP 530oversolIodofolIodophorolIoversol API
1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)(2-hydroxyethyl)amino)-2,4,6-triiodo-N3RIB7X24KN,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)glycolamido)-2,4,6-triiodoisophthalamideDTXCID0025521N1,N3-bis(2,3-dihydroxypropyl)-5-[2-hydroxy-N-(2-hydroxyethyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamideioversoloN1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-(2-hydroxyethyl)acetamido)-2,4,6-triiodobenzene-1,3-dicarboxamideRefChem:57669
物性
構造計算による物性
- XLogP
- -3
- 極性表面積
- 200 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 9
- 回転可能結合数
- 12
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 623
実験および物理化学的性質
DrugsPharmaceuticals
LogP-2.98
SolubilityWater soluble
Human Drugs
Breast Feeding; Lactation; Milk, Human; Contrast Media; Diagnostic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point180-182°C
Collision Cross Section216.25 Ų [M+H]+
物理化学的性質
- 融点
- 180 · 180-182°C
- 沸点
- 864.9 · 864.9±65.0 °C(Predicted)
- 比重(密度)
- 37 · d37 1.371 (c = 320 mgI/ml)
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（少量）、メタノール（少量）
- 酸解離定数(Pka)
- 11.34 · 11.34±0.46(Predicted)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 主な用途
- 医薬品
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
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ioversol
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- WGK 3
- 毒性
- LD50 in mice, rats, rabbits, dogs (gI/kg): 17, 15, >25, >12 i.v.; in male, female rats (mgI/kg): 1000, >1200 intracisternally (Ralston)
- 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
V08AB07
V - Various
QV - Various
Protein BindingIoversol does not bind to serum or plasma proteins.
Pharmacodynamics
The contrast enhancement obtained with ioversol is related to iodine content. Immediately after ioversol is injected, a peak in iodine plasma levels can be detected. However, depending on the organ being imaged, the time to maximum contrast will vary. The time to maximum contrast enhancement will range from the time iodine plasma levels reach their highest concentration to one hour after intravenous bolus administration. The delay between a peak in iodine plasma levels and maximum contrast enhancement is partly due to the accumulation of iodine-containing medium within a lesion and outside the blood pool. For angiographies, the maximum contrast enhancement of ioversol occurs almost immediately (15-120 seconds). Following rapid intravenous injection, ioversol can be visualized in the renal parenchyma within 30 to 60 seconds. In patients with normal renal function, opacification of the calyces and pelves takes place within 1-3 minutes, with an optimum contrast within 5-15 minutes.
Mechanism of Action
Ioversol is a highly soluble non-ionic ionidated contrast agent. Intravascular injection of ioversol opacifies those vessels in the path of the flow of the contrast medium, allowing the radiographic visualization of the internal structures until significant hemodilution occurs. In imaging procedures, ioversol diffuses from the vascular to the extravascular space. In brains with an intact blood-brain barrier, this agent does not diffuse to the extravascular space. However, in patients with a disrupted blood-brain barrier, ioversol accumulates in the interstitial space of the disrupted region. As the product Optiray, ioversol enhances computed tomographic imaging through augmentation of radiographic efficiency with the degree of density enhancement directly related to the iodine content in an administered dose.
Biological Half-LifeThe elimination half-life was 1.5 hr in healthy volunteers (n=12) receiving 50 and 150 mL of ioversol 68%. In patients with renal dysfunction, the elimination half-life of ioversol is prolonged.
関連反応
3 件
化合物ノート
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