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Iopromide

HCID 3736
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
73334-07-3
표준 SMILES
COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
InChIKey
DGAIEPBNLOQYER-UHFFFAOYSA-N
분자식
C18H24I3N3O8
평균 분자량
791.1 g/mol
단동위원소 질량
790.8698

이름 및 식별자

우선 이름
Iopromide
IUPAC
1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
영어명
Iopromide
분자식
C18H24I3N3O8
분자량
791.11

이름 및 동의어

iopromide73334-07-3UltravistIopromidumIopromidaProscopeUltravist 300iopromidUltravist 370Ultravist 150Ultravist 240ZK 35760
이름 더 보기
1,3-benzenedicarboxamide,n,n’-bis(2,3-dihydroxypropyl)-5-((methoxyacetyl)aminoN1,N3-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N1-methylisophthalamideshl414coproMide
DTXSID0023163Ultravist (pharmacy bulk)712BAC33MZZK-35760N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamideDTXCID503163CHEBI:63578Ultravist 300 In Plastic Container

데이터베이스 식별자

CAS
73334-07-3
PubChem CID
3736
DTXSID
DTXSID0023163
ChEMBL
CHEMBL1725
ChEBI
CHEBI:63578
UNII
712BAC33MZ
EC Number
277-385-9
Nikkaji
J11.916D

물성

구조 계산 물성

XLogP
-2.1
극성 표면적
169 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
32
형식 전하
0
복잡도
647

실험 및 물리화학적 성질

LogP-2.05
Ionization Efficiency · 6건

Positive

2.7

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section223.51 Ų [M+H]+;212.3 Ų [M-H]-

물리화학적 성질

녹는점
broad (160C transition)
끓는 점
840.9 · 840.9±65.0 °C(Predicted)
밀도
2.173 · 2.173±0.06 g/cm3(Predicted)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C
용해도
물과 디메틸설폭사이드에 잘 녹고, 에탄올(96%)과 아세톤에는 거의 녹지 않습니다.
산도 계수 (pKa)
10.62 · 10.62±0.70(Predicted)
물리적 상태
Solid
색상
White to off-white
안정성
흡습성
주요 응용
임상 연구
InChI
InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H400 (95.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (97.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.;There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (95.1%);Aquatic Chronic 1 (97.6%)

독성 정보

Effects During Pregnancy and Lactation · 1건

◉ Summary of Use during Lactation;Intravenous iodinated contrast media are poorly excreted into breastmilk and poorly absorbed orally so they are not likely to reach the bloodstream of the infant or cause any adverse effects in breastfed infants. Guidelines developed by several professional organizations state that breastfeeding need not be disrupted after a nursing mother receives an iodine-containing contrast medium. However, because there is no published experience with iopromide during breastfeeding, other agents may be preferred, especially while nursing a newborn or preterm infant.;◉ Effects in Breastfed Infants;Relevant published information was not found as of the revision date.;◉ Effects on Lactation and Breastmilk;Relevant published information was not found as of the revision date.

화학 및 산업

약리 정보

ATC Code · 3건

V08AB05

V - Various;V08 - Contrast media;V08A - X-ray contrast media, iodinated;V08AB - Watersoluble, nephrotropic, low osmolar x-ray contrast media;V08AB05 - Iopromide

QV - Various;QV08 - Contrast media;QV08A - X-ray contrast media, iodinated;QV08AB - Watersoluble, nephrotropic, low osmolar x-ray contrast media;QV08AB05 - Iopromide

Protein BindingThe plasma protein binding of iopromide is 1%.
Pharmacodynamics · 1건

After intravenous injection, opacification of the renal parenchyma begins within 1 minute. Excretion of the contrast agent becomes apparent in 1 to 3 minutes with optimal contrast in the calyces and collecting system occurring between 5 and 15 minutes. In nephropathic conditions, particularly when excretory capacity has been altered, the excretion rate varies unpredictably and opacification may be delayed for several hours after injection. the degree of contrast enhancement is related to the iodine concentration in the tissue of interest.

Mechanism of Action · 1건

Iopromide is a nonionic iodinated, water-soluble, radiographic contrast medium that is available in two stable, ready-to-use solutions of different concentrations (i.e., 300 mg I/mL and 370 mg I/mL). Following intravascular injection, iopromide provides radiographic opacification of the vasculature and extracellular space in the path of flow of the agent, allowing diagnostic assessment of the limbs and internal organs until significant dilution occurs.

Biological Half-Life · 1건

After intravenous administration to healthy adult subjects, the plasma iopromide concentration-time profile shows an initial distribution phase with a half-life of 0.24 hours; a main elimination phase with a half-life of 2 hours; and a terminal elimination phase with a half-life of 6.2 hours.

Metabolism/MetabolitesIopromide does not undergo significant metabolism, deiodination, or biotransformation.
FDA Pharmacological Classification · 6건

관련 반응

1건
반응 기록 만들기
HRID 1967633 반응식
HRID 1967633반응물로uspto-grants-2013_04

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
DGAIEPBNLOQYER-UHFFFAOYSA-N
SMILES
C1(C(N(CC(O)CO)C)=O)=C(I)C(NC(COC)=O)=C(I)C(C(NCC(O)CO)=O)=C1I
EPA
1 · 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl- (73334-07-3)

화학적 성질

White Solid

안전 데이터

wgk
3
rtecs
CZ2230000
ridadr
UN 3077 9 / PGIII
독성
LD50 in mice, rats (g iodine/kg body weight): 16.5, 11.4 i.v. (Muetzel)
HS 번호
2924296000
risk_code
50/53
hazard_code
N
safety_code
60-61
위험 등급
9
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스
11 - Combustible Solids

712BAC33MZ

IOPROMIDE

Established Pharmacologic Class [EPC] - Radiographic Contrast Agent

Mechanisms of Action [MoA] - X-Ray Contrast Activity

Iopromide is a Radiographic Contrast Agent. The mechanism of action of iopromide is as a X-Ray Contrast Activity.

IOPROMIDE

MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Absorption, Distribution and Excretion · 4건

Immediately following intravascular injection, iopromide reaches peak plasma concentrations and is then rapidly distributed throughout the extracellular fluid compartment. It displays little tendency to bind to serum or plasma proteins. Iodinated contrast agents cross a disrupted blood-brain barrier.

The amounts excreted unchanged in urine represent 97% of the dose in adult healthy subjects. Only 2% of the dose is recovered in the feces. Similar recoveries in urine and feces are observed in middle-aged and elderly patients. This finding suggests that, compared to the renal route, biliary and/or gastrointestinal excretion is not important for iopromide. During the slower terminal phase, only 3% of the dose is eliminated; 97% of the dose is disposed of during the earlier phases, the largest part of which occurs during the main elimination phase. The ratio of the renal clearance of iopromide to the creatinine clearance is 0.82, suggesting that iopromide is mainly excreted by glomerular filtration. Additional tubular reabsorption is possible.

The total volume of distribution at steady state is about 16 L, suggesting distribution into extracellular space.

The mean total and renal clearances are 107 mL/min and 104 mL/min, respectively.

용도 및 제조

Uses · 1건

Use (kg) in Switzerland (2009): >5000;Use (kg; approx.) in Germany (2009): >25000;Use (kg; exact) in Germany (2009): 46863;Consumption (g per capita) in Switzerland (2009): 0.64;Consumption (g per capita; approx.) in Germany (2009): 0.31;Consumption (g per capita; exact) in Germany (2009): 0.57;Excretion rate: 0.92;Calculated removal (%): 8.8

응용 분야 · 3건

개요Iopromide is a non-ionic, water-soluble X-ray contrast agent for intravascular administration. Iopromide can cause acute kidney injury and is used in animal models of contrast-induced nephropathy.

용도Labelled Iopromide. Nonionic, injectable radio-contrast medium. Diagnostic aid (radiopaque medium).

일반 설명Iopromide is a low-osmolar,nonionic monomer with 48% bound iodine content. It is indicatedfor use in angiography, excretory urography, andnumerous CT procedures.

상·하류 제품 정보

상류 원료

1,3-Benzenedicarboxamide, N3-[2,3-bis(acetyloxy)propyl]-N1-(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-3-Methylamino-1,2-propanediol

공급사100 곳

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추가 설명 · 1건

정의ChEBI: A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A ater soluble x-ray contrast agent for intravascular administration.