Sodium diatrizoate hydrate - Moligand™, ≥98% , Diagnostic agent, CAS No.737-31-5, Diagnostic agent

CAS: 737-31-5 Cat. No.: S122396 Peso molecular: 635.90(anhydrous basis) Beilstein Registry Number: 4082984 Número EC: 212-004-1 PubChem CID: 23672589

GRADE & PURITY Moligand™, ≥98%

Synonyms

Hypaque sodium | Sodium diacetyldiaminetriiodobenzoate | Urografic Acid Sodium Salt | meglumini diatrizoas | DTXCID102912 | V5403H8VG7 | CHEBI:53692 | 3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt | Diatrizoic acid sodium salt hydrate | 3,5-Bis(ac

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application:

Sodium diatrizoate hydrate has been used in spore purification. It has also been used in the isolation of plasma lymphocytes, monocytes and dendritic cells.

Specifications

Sinónimos

Hypaque sodium | Sodium diacetyldiaminetriiodobenzoate | Urografic Acid Sodium Salt | meglumini diatrizoas | DTXCID102912 | V5403H8VG7 | CHEBI:53692 | 3, 5-Diacetamido-2, 4, 6-triiodobenzoic acid sodium salt | Diatrizoic acid sodium salt hydrate | 3, 5-Bis(ac

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Grado

Moligand™

Mecanismo de acción

Diagnostic agent

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200463
• Sonrisas canónicas: O.[Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I
• IUPAC Name: sodium;3,5-diacetamido-2,4,6-triiodobenzoate
• InChIKey: ZEYOIOAKZLALAP-UHFFFAOYSA-M
• INCHI: 1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1
• Isómeros SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]
• PubChem CID: 23672589
• Peso molecular: 635.90(anhydrous basis)
• Beilstein: 4082984

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: P-haloacetanilides O-haloacetanilides 2-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids N-acetylarylamines 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Acetamides Carboxylic acid salts Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic metal halides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organoiodides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - O-haloacetanilide - P-haloacetanilide - Haloacetanilide - Acetanilide - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid - N-acetylarylamine - Anilide - N-arylamide - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Acetamide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Organic alkali metal salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - 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: organic sodium salt - organoiodine compound

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

Objetivos asociados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O: 350 mg/mL, clear to slightly hazy
• Sensibilidad: Light sensitive；Moisture sensitive；Air sensitive
• Peso molecular: 635.890 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 635.752 Da
• Monoisotopic Mass: 635.752 Da
• Topological Polar Surface Area: 98.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Lin Su, Dongdong Jin, Yuqiong Wang, Qinglong Wang, Chengfeng Pan, Shuai Jiang, Haojin Yang, Zhengxin Yang, Xin Wang, Neng Xia, Kai Fung Chan, Philip Wai Yan Chiu, Joseph Jao-Yiu Sung, Li Zhang.  (2023)  Modularized microrobot with lock-and-detachable modules for targeted cell delivery in bile duct.  Science Advances,  9  (50):   [PMID:38100592] [10.1126/sciadv.adj0883]

2. Jing Chen, Chunyang Bao, Mengshi Chen, Yan Wang, Xiaoling Xu, Tao Yang, Cenyao Shang, Qiang Zhang.  (2023)  β-cyclodextrin-scaffolded crosslinked poly(ionic liquid)s for ultrafast removal of multiple pollutants: Insight into adsorption performance and mechanism.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.142526]

3. Jingxin Yang, Yujie Luo, Xianghui Fu, Zijun Dong, Chuan Wang, Hong Liu, Chengchun Jiang.  (2021)  Unexpected degradation and deiodination of diatrizoate by the Cu(II)/S(IV) system under anaerobic conditions.  WATER RESEARCH,      [PMID:33957311] [10.1016/j.watres.2021.117137]

4. Wentao Shang, Zijun Dong, Mu Li, Xiulan Song, Miao Zhang, Chengchun Jiang, Sun Feiyun.  (2018)  Degradation of diatrizoate in water by Fe(II)-activated persulfate oxidation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.12.139]

5. Pan-Pan He, Chuan-Shu He, Qi Liu, Yang Mu.  (2017)  Dehalogenation of diatrizoate using nanoscale zero-valent iron: impacts of various parameters and assessment of aerobic biological post-treatment.  RSC Advances,  7  (44): (27214-27223).  [PMID:] [10.1039/C7RA03750C]