ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

Unii-rlm74T3Z9D

HCID 6435809
ノート反応
基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
131069-91-5
標準SMILES
COCCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChIKey
HBEAOBRDTOXWRZ-UHFFFAOYSA-K
分子式
C20H34GdN5O10
平均分子量
661.8 g/mol
単同位体質量
662.15468

概要

Gadoversetamide, marketed under the trade name OptiMARK, is a gadolinium compound used as a contrast agent in magnetic resonance imaging (MRI), particularly imaging of the brain, spine and liver.

名称と識別子

優先名称
Unii-rlm74T3Z9D
IUPAC
2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)

名称と別名

UNII-RLM74T3Z9DHSDB 7550Gadoversetamide [USAN:USP:INN:BAN]orb3134453HY-A0196(Gadoversetamide) (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadoliniumCS-0017542{8,11-Bis[(carboxylato-kappaO)methyl]-14-{2-[(2-methoxyethyl)amino]-2-(oxo-kappaO)ethyl}-6-(oxo-kappaO)-2-oxa-5,8,11,14-tetraazahexadecan-16-oato-kappa~4~N~8~,N~11~,N~14~,O~16~}gadolinium

データベース識別子

CAS
131069-91-5
PubChem CID
6435809
DTXSID
DTXSID10156865

物性

構造計算による物性

極性表面積
207 Ų
水素結合供与体数
2
水素結合受容体数
13
回転可能結合数
6
重原子数
36
形式電荷
0
複雑度
637

化学と産業

薬理情報

Mechanism of Action · 1 件

Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. MR images are based primarily on proton density and proton relaxation dynamics. MR instruments are sensitive to two different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and T2 (spin-spin or transverse relaxation time). Paramagnetic agents contain one or more unpaired electrons that enhance the T1 and T2 relaxation rates of protons in their molecular environment. In MRI, visualization of normal and pathological brain, spinal and hepatic tissue depends in part on variations in the radio frequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadoversetamide shortens the T1 and T2 relaxation times in tissues where it accumulates. At the recommended dose, the effect is primarily on T1 relaxation time, and produces an increase in signal intensity (brightness). Gadoversetamide does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in CNS lesions that may have a normal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadoversetamide in lesions such as neoplasms, abscesses, and subacute infarcts.

Biological Half-LifeDistribution 13.3 ± 6.8 (mean) minutes, elimination 103.6 ± 19.5 (mean) minutes.
Metabolism/MetabolitesNone detected
Absorption, Distribution and Excretion · 3 件

The mean cumulative urinary excretion of gadoversetamide at 72 hours was approximately 93.5% for renal impaired patients and 95.8% for subjects with normal renal function

162 ± 25 mL/kg [normal subjects]

72 +/- 16.3 mL/hr/kg [healthy]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性化学と産業関連反応化合物ノート