CAS 122795-43-1|Gadodiamide hydrate|gadolinium(3+) ion 2-[bis({2-[(carboxylatomethyl)[(methylcarbamoyl)methyl]amino]ethyl})amino]acetate hydrate|Gadodiamide|gadolinium(3+) 2-[bis({2-[(carboxylatomet...

基本信息

化学结构

分子式

C₁₆H₂₈GdN₅O₉

分子量

591.67162

精确质量

592.1128055

电荷

InChI

InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3

InChIKey

XPCLDSMKWNNKOM-UHFFFAOYSA-K

Canonic Smiles

CNC(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)NC)CC(=O)[O-].O.[Gd+3]

Isomeric Smiles

[Gd+3].[O-]C(=O)CN(CCN(CC(=O)NC)CC(=O)[O-])CCN(CC(=O)NC)CC(=O)[O-].O

计算属性

JChem

Acid pKa

2.3585072

质子受体

质子供体

LogD (pH = 5.5)

-9.196694

LogD (pH = 7.4)

-12.521592

Log P

-6.899185

摩尔折射率

132.3984

极化性

38.687607

极化表面积

188.31

可自由旋转的化学键

里宾斯基五规则

false

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

Gadodiamide hydrateGadodiamideOmniscan

IUPAC标准名

gadolinium(3+) ion 2-[bis({2-[(carboxylatomethyl)[(methylcarbamoyl)methyl]amino]ethyl})amino]acetate hydrate

IUPAC传统名

gadolinium(3+) 2-[bis({2-[(carboxylatomethyl)[(methylcarbamoyl)methyl]amino]ethyl})amino]acetate hydrate

商标名

Omniscan

名称和标识

数据登录号

PubChem CID

60754

PubChem SID

16096357346504789

CAS号

122795-43-1

数据登录号

化合物性质

安全信息

保存条件

-20°C

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

DrugBank

DB00225

Drug Groups

approved

Description

Gadodiamide is a gadolinium based contrast agent used in MR imaging procedures to assist in the visualization of blood vessels. It is commonly marketed under the trade name Omniscan. [Wikipedia]

Indication

For intravenous use in MRI to visualize lesions with abnormal vascularity (or those thought to cause abnormalities in the blood-brain barrier) in the brain (intracranial lesions), spine, and associated tissues.

Affected Organisms

Humans and other mammals

Biotransformation

There is no detectable biotransformation or decomposition of gadodiamide.

Half Life

Two-compartment model with mean distribution and elimination half-lives (reported as mean ± SD) of 3.7 ± 2.7 minutes and 77.8 ± 16 minutes, respectively.

Elimination

Gadodiamide is eliminated primarily in the urine.

Distribution

* 200 ± 61 mL/kg

Clearance

* Renal cl=1.7 mL/min/kg
* Plasma cl=1.8 mL/min/kg

External Links

• [Wikipedia]

• [RxList]

Selleck Chemicals

S1751

Research Area: Cancer
Biological Activity:
Gadodiamide(Omniscan) is a gadolinium-based contrast agent used in MR imaging procedures to assist in the visualization of blood vessels. Gadodiamide is a contrast medium for cranial and spinal magnetic resonance imaging (MRI) and for general MRI of the body after intravenous administration. The product provides contrast enhancement and facilitates visualisation of abnormal structures or lesions in various parts of the body including the central nervous system (CNS). [1]

描述信息

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Gadodiamide

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

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