기본 정보
- CAS
27293-82-9- 표준 SMILES
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I- InChIKey
YMOXVLQZFAUUKI-UHFFFAOYSA-N- 분자식
- C15H18I3NO3
- 평균 분자량
- 641.02 g/mol
- 단동위원소 질량
- 640.8421
개요
Tyropanoate is a member of benzenes and a monocarboxylic acid.
이름 및 식별자
- 우선 이름
- Tyropanic Acid
- IUPAC
- 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid
- 현지명
- 2-[3-(부티릴아미노)-2,4,6-트리요오도벤질]부티르산
- 영어명
- 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid
- 분자식
- C15H18I3NO3
- 분자량
- 641.02
이름 및 동의어
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
이름 더 보기
2-[3-(부티릴아미노)-2,4,6-트리요오도벤질]부티르산Tyropanoateα-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]-
데이터베이스 식별자
- CAS
27293-82-9- PubChem CID
- 5611
- DTXSID
DTXSID5048269- ChEMBL
CHEMBL1201261- ChEBI
CHEBI:135862- UNII
- 4F05V145YR
- EC Number
- 248-389-8
- Nikkaji
- J308.471J
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 394
실험 및 물리화학적 성질
Solubilityslightly water soluble
Boiling Point>187
물리화학적 성질
- 녹는점
- 172 · 172-185.5 °C
- 끓는 점
- 608.7 · 608.7±55.0 °C(Predicted)
- 밀도
- 2.143 · 2.143±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.53 · 4.53±0.19(Predicted)
화학 및 산업
약리 정보
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.
응용 분야
용도Tyropanoic Acid acts as a cholecystographic agent that interferes with the binding of thyroid hormones.
공급사4 곳
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