ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

イオプロミド(異性体混合物)

Iopromide

HCID 3736
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
73334-07-3
標準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
分子式
C18H24I3N3O8
平均分子量
791.1 g/mol
単同位体質量
790.8698

名称と識別子

優先名称
Iopromide
IUPAC
1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
現地名
イオプロミド(異性体混合物)
英語名
Iopromide
分子式
C18H24I3N3O8
分子量
791.11

名称と別名

iopromide73334-07-3UltravistIopromidumIopromidaProscopeUltravist 300iopromidUltravist 370Ultravist 150Ultravist 240ZK 35760
名称をさらに表示
プロスコープN,N'-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-[(メトキシアセチル)アミノ]-N-メチル-1,3-ベンゼンジカルボアミドヨープロミドN,N'-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-(2-メトキシアセチルアミノ)-N-メチルイソフタルアミドイオプロミドイオプロミド(異性体混合物)イオプロミド (JAN)N1,N3-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-(2-メトキシアセトアミド)-N1-メチルベンゼン-1,3-ジカルボキサミドN,N′-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-(2-メトキシアセチルアミノ)-N-メチルイソフタルアミドN,N′-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-5-[(メトキシアセチル)アミノ]-N-メチル-1,3-ベンゼンジカルボアミド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

物性

構造計算による物性

XLogP
-2.1
極性表面積
169 Ų
水素結合供与体数
6
水素結合受容体数
8
回転可能結合数
11
重原子数
32
形式電荷
0
複雑度
647

実験および物理化学的性質

LogP-2.05
Ionization Efficiency · 6 件

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]-

物理化学的性質

融点
broad (160C transition)
沸点
840.9 · 840.9±65.0 °C(Predicted)
比重(密度)
2.173 · 2.173±0.06 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Sealed in dry,2-8°C
溶解性
96 %)およびアセトンにほとんど溶けない。 · 水およびジメチルスルホキシドに溶け、エタノール(96%)およびアセトンにほとんど溶けない。
酸解離定数(Pka)
10.62 · 10.62±0.70(Predicted)
外見
Solid
色
White to off-white
安定性
吸湿性
主な用途
臨床
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)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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

毒性情報

Effects During Pregnancy and Lactation · 1 件

◉ 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.

化学と産業

薬理情報

ATC Code · 3 件

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 · 1 件

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 · 1 件

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 · 1 件

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 · 6 件

関連反応

1 件
反応記録を作成
HRID 1967633 の反応式
HRID 1967633反応物としてuspto-grants-2013_04

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
73334-07-3
PubChem CID
3736
DTXSID
DTXSID0023163
ChEMBL
CHEMBL1725
ChEBI
CHEBI:63578
UNII
712BAC33MZ
EC Number
277-385-9
Nikkaji
J11.916D
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
CAS データベース
73334 · 73334-07-3(CAS DataBase Reference)
EPAの化学物質情報
1 · 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl- (73334-07-3)

化学的性質

化学的特性White Solid

安全データ

wgk
3
rtecs
CZ2230000
ridadr
UN 3077 9 / PGIII
毒性
LD50 in mice, rats (g iodine/kg body weight): 16.5, 11.4 i.v. (Muetzel)
hs_code
2924296000
risk_code
50/53
hazard_code
N
safety_code
60-61
hazard_class
9
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1
ストレージクラス
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 · 4 件

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.

用途と製造

Uses · 1 件

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

応用分野 · 4 件

用途構成元素であるよう素は高い X 線吸収能を有します。

説明Iopromide 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.

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

一般的な説明Iopromide is a low-osmolar,nonionic monomer with 48% bound iodine content. It is indicatedfor use in angiography, excretory urography, andnumerous CT procedures.

上流・下流製品情報

上流原料

1,3-Benzenedicarboxamide, N3-[2,3-bis(acetyloxy)propyl]-N1-(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-3-メチルアミノ-1,2-プロパンジオール

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
兄弟科技股份有限公司0573-87006360
北京华美互利生物化工010-56205725 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
博瑞生物医药(苏州)股份有限公司0512-0512-62551764 18013103761 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
浙江海昌药业股份有限公司13958554356 15715702293 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都安斯利生物医药有限公司028-85305008 02885305008 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北威德利化学科技有限公司027-83989310 18627915365 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
济南三元化工有限公司18615587029 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
補足説明 · 1 件

定義ChEBI: 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.