CAS 606-17-7|Adipiodone|Adipiodonum [INN-Latin]|Cholografin|3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid|Bilignost|3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bi...

基本信息

化学结构

分子式

C₂₀H₁₄I₆N₂O₆

分子量

1139.76178

精确质量

1139.51202418

电荷

InChI

InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)

InChIKey

FFINMCNLQNTKLU-UHFFFAOYSA-N

Canonic Smiles

O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I

Isomeric Smiles

Ic1c(NC(=O)CCCCC(=O)Nc2c(I)c(c(I)cc2I)C(=O)O)c(I)cc(I)c1C(=O)O

计算属性

JChem

Acid pKa

2.0255375

质子受体

质子供体

LogD (pH = 5.5)

2.217679

LogD (pH = 7.4)

1.2136091

Log P

8.248091

摩尔折射率

183.981

极化性

70.95157

极化表面积

132.8

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

3.42

LOG S

-5.57

溶解度

3.06e-03 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid

别名

Adipiodone3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)Iodipamic acidAdipiodona [INN-Spanish]Adipiodonum [INN-Latin]IDBIodipamide胆影酸3,3′-(己二酰二亚氨基)双(2,4,6-三碘苯甲酸)IodipamideCholografinAdipic Acid Bis(3-carboxy-2,4,6-triiodoanilide)3,3'-(Adipoyldiimino)-bis(2,4,6-triiodobenzoic Acid)Cholospect3,3'-[(1,6-Dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodobenzoic Acid

商标名

TransbilixBilignostCholospectCholografinBilignostumBiligrafin

IUPAC传统名

iodipamide

名称和标识

数据登录号

CAS号

606-17-7

PubChem CID

3739

PubChem SID

4650732016096769524895909

MDL号

MFCD00058983

EC号

210-105-5

数据登录号

化合物性质

安全信息

德国WGK号

RTECS编号

DG0949500

个人保护装置

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

MSDS下载

下载链接

产品相关信息

级别

analytical standard, for drug analysis

质检报告

下载链接

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

DrugBank

DB04711

Drug Groups

approved

Description

Iodipamide is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. [PubChem]

Indication

Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography.

Toxicity

Ionic radiocontrast agents like iodipamide 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. Acute IV LD50 is 5000 mg/kg in rat, 3195 mg/kg in mouse, and 1200 mg/kg in dog.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic.

References

• Lin SK, Moss AA, Riegelman S: Iodipamide kinetics: capacity-limited biliary excretion with simultaneous pseudo-first-order renal excretion. J Pharm Sci. 1977 Dec;66(12):1670-4. [Pubmed]

TRC

I666800

Diagnostic aid (radiopaque medium-cholecystographic).

描述信息

参考文献

PubChem文献

数据源提供

• Lin SK, Moss AA, Riegelman S: Iodipamide kinetics: capacity-limited biliary excretion with simultaneous pseudo-first-order renal excretion. J Pharm Sci. 1977 Dec;66(12):1670-4. Pubmed

• Kiyano, et al.: Radioisotopes, 20, 78 (1971)

• Rosenberg, F.J., et al.: Invest. Radiol., 15, S142 (1971)

• Lerner, H.H., et al.: Anal. Profiles Drug Subs., 3, 333 (1971)

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

IUPAC标准名

3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid

别名

商标名

TransbilixBilignostCholospectCholografinBilignostumBiligrafin

IUPAC传统名

iodipamide

数据登录号

CAS号

606-17-7

PubChem CID

3739

PubChem SID

4650732016096769524895909

MDL号

MFCD00058983

EC号

210-105-5

化合物性质

安全信息

德国WGK号

RTECS编号

DG0949500

个人保护装置

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

MSDS下载

下载链接

产品相关信息

级别

analytical standard, for drug analysis

质检报告

下载链接

描述信息

DrugBank

DB04711

Drug Groups

approved

Description

Iodipamide is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. [PubChem]

Indication

Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography.

Toxicity

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic.

References

• Lin SK, Moss AA, Riegelman S: Iodipamide kinetics: capacity-limited biliary excretion with simultaneous pseudo-first-order renal excretion. J Pharm Sci. 1977 Dec;66(12):1670-4. [Pubmed]

TRC

I666800

Diagnostic aid (radiopaque medium-cholecystographic).

参考文献

PubChem文献

数据源提供

• Lin SK, Moss AA, Riegelman S: Iodipamide kinetics: capacity-limited biliary excretion with simultaneous pseudo-first-order renal excretion. J Pharm Sci. 1977 Dec;66(12):1670-4. Pubmed

• Kiyano, et al.: Radioisotopes, 20, 78 (1971)

• Rosenberg, F.J., et al.: Invest. Radiol., 15, S142 (1971)

• Lerner, H.H., et al.: Anal. Profiles Drug Subs., 3, 333 (1971)

生物活性

PubChem BioAssay

化合物信息

ID:4263