GRADE & PURITY ≥98%

Synonyms

Bracco 15000|60208-45-9|62883-00-5|D-Iopamidol|N1,N3-Bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide|1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide|1-N,3-N-bis(1,

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Bracco 15000 | 60208-45-9 | 62883-00-5 | D-Iopamidol | N1, N3-Bis(1, 3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2, 4, 6-triiodoisophthalamide | 1-N, 3-N-bis(1, 3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2, 4, 6-triiodobenzene-1, 3-dicarboxamide | 1-N, 3-N-bis(1,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488179786
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179786
• Sonrisas canónicas: CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
• IUPAC Name: 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide
• InChIKey: XQZXYNRDCRIARQ-UHFFFAOYSA-N
• INCHI: 1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)
• Isómeros SMILES: CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
• Peso molecular: 777.09
• Reaxy-Rn: 6773333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6773333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Anilides Benzamides Benzoyl derivatives N-arylamides Iodobenzenes Aryl iodides Vinylogous halides Secondary alcohols Secondary carboxylic acid amides Organoiodides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Primary alcohols Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Anilide - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°C): 428.8ºC
• Punto de ebullición (°C): 785.3ºC
• Peso molecular: 777.100 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 776.854 Da
• Monoisotopic Mass: 776.854 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 583.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yurong Gu, Zi Song, Zijun Dong, Feiyun Sun, Chengchun Jiang, Jikun Qi.  (2022)  Efficient degradation and deiodination of iopamidol by UV/sulfite process: Assessment of typical process parameters and transformation paths.  ENVIRONMENT INTERNATIONAL,      [PMID:35952467] [10.1016/j.envint.2022.107383]

2. Jingdong Yang, Yu Li, Zequn Yang, Kaimin Shih, Guang-Guo Ying, Yong Feng.  (2022)  Activation of ozone by peroxymonosulfate for selective degradation of 1,4-dioxane: Limited water matrices effects.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35739743] [10.1016/j.jhazmat.2022.129223]

3. Shuwei Xiao, Pengchao Wang, Jian Zhao, Zhengyun Ling, Ziyan An, Zhouyang Fu, Weijun Fu, Xu Zhang.  (2021)  Bi-layer silk fibroin skeleton and bladder acellular matrix hydrogel encapsulating adipose-derived stem cells for bladder reconstruction.  Biomaterials Science,  9  (18): (6169-6182).  [PMID:34346416] [10.1039/D1BM00761K]

4. Chaoqun Tan, Yuhao Guo, Wangqi Yu, Ming Chen, Lianghu Su, Dongsheng Wang.  (2025)  Alkaline regeneration of activated carbon in biological activated carbon filter from drinking water treatment：Adsorption of micropollutant.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.118035]

5. Qiang Tan, Zhonglin Chen, Jimin Shen, Pengwei Yan, Jing Kang, Binyuan Wang, Shengxin Zhao, Yang Shen, Yabin Li.  (2025)  In situ construction of ZnFe-layered double oxides on biochar for improving interfacial adsorption-catalysis of ozone achieves efficient water purification.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135358]

6. Wang Xuesheng, Zhang Fan, Zhou Zhonghan, Fu Qiang, Liao Limin.  (2025)  Comparative study of bladder augmentation using different biomimetic scaffolds: electrospun nanofiber vs. extracellular matrix scaffold with adipose-derived stem cells.  International Journal of Surgery,      [PMID:40788005] [10.1097/JS9.0000000000003152]

7. Jianping Tao, Qiang Wang, Congcong Yang, Lunjie Zhao, Jianyou Xia, Chen Zhang, Fanyang Zhou, Renxi Zhu, Qiang Li, Dong Zhuo, Yujie Xu, Zhenxing Zhang.  (2025)  Magnesium Oxide Nanoparticle-Incorporated Electrospun Nanofiber Scaffolds for Bladder Repair.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.5c04621]