Sulfadimethoxine Sodium Salt - ≥98% , Bacterial dihydropteroate synthase inhibitor, CAS No.1037-50-9, Bacterial dihydropteroate synthase inhibitor

CAS: 1037-50-9 Cat. No.: S119728 Molecular Weight: 332.31 EC Number: 213-859-3 PubChem CID: 13384041

GRADE & PURITY ≥98%

Synonyms

Sulfadimethoxydiazine sodium | EN300-7406335 | Acotiamide HCl trihydrate | D08538 | s5096 | Sulfadimethoxin natrium | CCG-267829 | MFCD00070155 | AKOS025311068 | sodium;(4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide | 4-Amino-N-(2,6-dimethox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Sulfadimethoxydiazine sodium | EN300-7406335 | Acotiamide HCl trihydrate | D08538 | s5096 | Sulfadimethoxin natrium | CCG-267829 | MFCD00070155 | AKOS025311068 | sodium;(4-aminophenyl)sulfonyl-(2, 6-dimethoxypyrimidin-4-yl)azanide | 4-Amino-N-(2, 6-dimethox

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Bacterial dihydropteroate synthase inhibitor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767391
• Canonical Smiles: COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)OC.[Na+]
• IUPAC Name: sodium;(4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide
• InChIKey: DQDZQHMCPDUUPC-UHFFFAOYSA-N
• INCHI: 1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1
• Isomeric SMILES: COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)OC.[Na+]
• WGK Germany: 3
• PubChem CID: 13384041
• Molecular Weight: 332.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Alkyl aryl ether - Pyrimidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Ether - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: organic molecular entity

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

Chemical and Physical Properties

• Melt Point(°C): 268°C
• Molecular Weight: 332.310 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 332.056 Da
• Monoisotopic Mass: 332.056 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 425.000
• 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

References

1. Sun Kaixuan, Sun Yuanyuan, Gao Bin, Xu Hongxia, Wu Jichun.  (2019)  Effect of cation type in mixed Ca-Na systems on transport of sulfonamide antibiotics in saturated limestone porous media.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  26  (11): (11170-11178).  [PMID:30793247] [10.1007/s11356-019-04561-z]

2. Cai Tianpei, Zhang Haijuan, Rahman A. F. M. Mustafizur, Shi Yan-Ping, Qiu Hongdeng.  (2017)  Silica grafted with silanized carbon dots as a nano-on-micro packing material with enhanced hydrophilic selectivity.  MICROCHIMICA ACTA,  184  (8): (2629-2636).  [PMID:] [10.1007/s00604-017-2277-1]

3. Yue Zhao, Yujie Xiao, Xian Yang, Xue Zhang.  (2024)  Epimedium brevicornu maxim. -derived green carbon quantum dots as chemiluminescence probes for highly sensitive detection of Sulfacetamide and Sulfadimethoxine Sodium Salt.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110893]