CAS 92339-11-2|Visipaque 270|Visipaque|Visipaque 320|Iodixanol|5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-1-N,3-N-bis(2,3-dihydroxy...

基本信息

化学结构

分子式

C₃₅H₄₄I₆N₆O₁₅

分子量

1550.18188

精确质量

1549.71330274

电荷

InChI

InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)

InChIKey

NBQNWMBBSKPBAY-UHFFFAOYSA-N

Canonic Smiles

OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O

Isomeric Smiles

Ic1c(N(CC(O)CN(c2c(I)c(c(I)c(c2I)C(=O)NCC(O)CO)C(=O)NCC(O)CO)C(=O)C)C(=O)C)c(I)c(c(I)c1C(=O)NCC(O)CO)C(=O)NCC(O)CO

计算属性

JChem

Acid pKa

11.433949

质子受体

质子供体

LogD (pH = 5.5)

-2.0626314

LogD (pH = 7.4)

-2.0626664

Log P

-2.062631

摩尔折射率

277.1619

极化性

107.42674

极化表面积

339.09

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

-2.91

LOG S

-3.92

溶解度

1.85e-01 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

商标名

VisipaqueVisipaque 270Visipaque 320

别名

IodixanolIndixanolIodixanolumOptiPrep™ Density Gradient MediumIodixanol solutionOptiPrep5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide2-5410-3AVisipaque

IUPAC传统名

iodixanolum iodixanol

IUPAC标准名

5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质

安全信息

德国WGK号

保存条件

Refrigerator

MSDS下载

下载链接

产品相关信息

质检报告

下载链接

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

DB01249

Drug Groups

approved

Description

Iodixanol is a nonionic hydrophilic compound commonly used as a contrast agent during coronary angiography, particularly in individuals with renal dysfunction, as it is believed to be less toxic to the kidneys than most other intravascular contrast agents.

Indication

Iodixanol is a contrast agent during coronary angiography.

Pharmacology

Iodixanol is a contrast agent commonly used during coronary angiography, particularly in individuals with renal dysfunction, as it is believed to be less toxic to the kidneys than most other intravascular contrast agents. It is an iso-osmolar contrast agent, with an osmolality of 290 mOsm/kg H20, the same as blood.

Toxicity

Non-ionic radiocontrast agents like iodixanol are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.

Affected Organisms

Humans and other mammals

Biotransformation

Excreted unchanged

Half Life

2.1 hours. In patients with significantly impaired renal function (mean creatinine clearance rate, 9.91 [± 3.58] mL per minute), the plasma half-life is increased to 23 hours.

Protein Binding

Negligible

Elimination

In adults, approximately 97% of the injected dose of iodixanol is excreted unchanged in urine within 24 hours, with less than 2% excreted in feces within five days post-injection.

Distribution

* 0.26 L/kg

References

• Spencer CM, Goa KL: Iodixanol. A review of its pharmacodynamic and pharmacokinetic properties and diagnostic use as an x-ray contrast medium. Drugs. 1996 Dec;52(6):899-927. [Pubmed]

• McCullough PA: Renal safety of iodixanol. Expert Rev Cardiovasc Ther. 2006 Sep;4(5):655-61. [Pubmed]

External Links

• [Wikipedia]

• [Drugs.com]

Sigma Aldrich

D1556

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Density gradient suitable for isolation of cells and cell organelles, virus purification, and isolation of lipoproteins and macromolecules.
Other Notes
60% (w/v) solution of iodixanol in water (sterile).
法律信息
OptiPrep is a trademark of Axis-Shield PoC AS

TRC

I667200

Nonionic, dimeric x-ray contrast medium. Diagnostic aid (radiopaque medium).

描述信息

参考文献

PubChem文献

数据源提供

• McCullough PA: Renal safety of iodixanol. Expert Rev Cardiovasc Ther. 2006 Sep;4(5):655-61. Pubmed

• Spencer CM, Goa KL: Iodixanol. A review of its pharmacodynamic and pharmacokinetic properties and diagnostic use as an x-ray contrast medium. Drugs. 1996 Dec;52(6):899-927. Pubmed

• Conroy, R.M., et al.: Clin. Radiol., 49, 337 (1992)

• Palmers, Y., et al.: Eur. J. Radiol., 17, 203 (1992)

• Svaland, M.G., et al.: Invest. Radiol., 27, 130 (1992)

参考文献

生物活性

PubChem BioAssay

生物活性

数据来源

学术数据

产品目录

名称和标识

商标名

VisipaqueVisipaque 270Visipaque 320

别名

IUPAC传统名

iodixanolum iodixanol

IUPAC标准名

5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

化合物性质

安全信息

德国WGK号

保存条件

Refrigerator

MSDS下载

下载链接

产品相关信息

质检报告

下载链接

描述信息

DrugBank

DB01249

Drug Groups

approved

Description

Indication

Iodixanol is a contrast agent during coronary angiography.

Pharmacology

Toxicity

Affected Organisms

Humans and other mammals

Biotransformation

Excreted unchanged

Half Life

2.1 hours. In patients with significantly impaired renal function (mean creatinine clearance rate, 9.91 [± 3.58] mL per minute), the plasma half-life is increased to 23 hours.

Protein Binding

Negligible

Elimination

In adults, approximately 97% of the injected dose of iodixanol is excreted unchanged in urine within 24 hours, with less than 2% excreted in feces within five days post-injection.

Distribution

* 0.26 L/kg

References

• Spencer CM, Goa KL: Iodixanol. A review of its pharmacodynamic and pharmacokinetic properties and diagnostic use as an x-ray contrast medium. Drugs. 1996 Dec;52(6):899-927. [Pubmed]

• McCullough PA: Renal safety of iodixanol. Expert Rev Cardiovasc Ther. 2006 Sep;4(5):655-61. [Pubmed]

External Links

• [Wikipedia]

• [Drugs.com]

Sigma Aldrich

D1556

TRC

I667200

Nonionic, dimeric x-ray contrast medium. Diagnostic aid (radiopaque medium).

参考文献

PubChem文献

数据源提供

• McCullough PA: Renal safety of iodixanol. Expert Rev Cardiovasc Ther. 2006 Sep;4(5):655-61. Pubmed

• Spencer CM, Goa KL: Iodixanol. A review of its pharmacodynamic and pharmacokinetic properties and diagnostic use as an x-ray contrast medium. Drugs. 1996 Dec;52(6):899-927. Pubmed

• Conroy, R.M., et al.: Clin. Radiol., 49, 337 (1992)

• Palmers, Y., et al.: Eur. J. Radiol., 17, 203 (1992)

• Svaland, M.G., et al.: Invest. Radiol., 27, 130 (1992)

生物活性

PubChem BioAssay

化合物信息

ID:1118