基本情報
- CAS
27293-82-9- 標準SMILES
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I- InChIKey
YMOXVLQZFAUUKI-UHFFFAOYSA-N- 分子式
- C15H18I3NO3
- 平均分子量
- 641.02 g/mol
- 単同位体質量
- 640.8421
概要
Tyropanoate is a member of benzenes and a monocarboxylic acid.
名称と識別子
- 優先名称
- Tyropanic Acid
- IUPAC
- 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid
- 現地名
- α-エチル-2,4,6-トリヨード-3-[(1-オキソブチル)アミノ]ベンゼンプロパン酸
- 英語名
- 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid
- 分子式
- C15H18I3NO3
- 分子量
- 641.02
名称と別名
Tyropanoic acidTYROPANIC ACID27293-82-9Acidum tyropanoicum4F05V145YREINECS 248-389-82-[(3-butanamido-2,4,6-triiodophenyl)methyl]butanoic acidDTXSID5048269TYROPANOIC ACID [WHO-DD]2-(3-(Butyrylamino)-2,4,6-triiodobenzyl)butanoic acid2-((3-butanamido-2,4,6-triiodophenyl)methyl)butanoic acidRefChem:900814
名称をさらに表示
チロパン酸α-エチル-2,4,6-トリヨード-3-[(1-オキソブチル)アミノ]ベンゼンプロパン酸Tyropanoateα-Ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]benzenepropanoic acidBenzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-
DTXCID00282442-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid2-[3-(BUTYRYLAMINO)-2,4,6-TRIIODOBENZYL]BUTYRIC ACID2-(3-Butyramido-2,4,6-triiodobenzyl)butanoic acidBilopacLumopaqueTyropaqueBenzenepropanoic acid, a-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 66.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 394
実験および物理化学的性質
Solubilityslightly water soluble
Boiling Point>187
物理化学的性質
- 融点
- 172 · 172-185.5 °C
- 沸点
- 608.7 · 608.7±55.0 °C(Predicted)
- 比重(密度)
- 2.143 · 2.143±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 4.53 · 4.53±0.19(Predicted)
化学と産業
薬理情報
ATC Code
V - Various
QV - Various
Protein BindingLess than 5 %.
Pharmacodynamics
Tyropanoate sodium, also known as sodium tyropanoate, is a radiocontrast agent used in cholecystography (X-ray imagining and diagnosis of gallstones). This molecule contains three heavy iodine atoms which obstruct X-rays to produce a visible image. After injection, it is rapidly excreted into the bile.
Metabolism/MetabolitesConjugated with glucuronic acid in the liver.
Absorption, Distribution and Excretion
This triiodide is well absorbed by the small intestine and it is excreted in the bile within 2 h after oral administration. It has been found to be readily absorbed and show maximal radiographic definition at 10-12 h post ingestion, but this can occur as early as 4-6h.
Rapidly excreted into the bile and equally excreted in the urine and feces within 100h of ingestion.
応用分野
使用Tyropanoic Acid acts as a cholecystographic agent that interferes with the binding of thyroid hormones.
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