Sulfabrom - Moligand™,≥97% , CAS No.116-45-0

CAS: 116-45-0 Cat. No.: S693410 Peso molecular: 357.23 PubChem CID: 8310

GRADE & PURITY Moligand™, ≥97%

Synonyms

4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)benzenesulphonamide | sulfabromomethazine | N 3517

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Sulfabrom (N 3517; Sulfabromomethazine) is a long-acting Sulfonamide that is used for the treatment of coccidiosis and various bacterial infections in the poultry, swine and cattle.

Specifications

Sinónimos

4-amino-N-(5-bromo-4, 6-dimethyl-2-pyrimidinyl)benzenesulphonamide | sulfabromomethazine | N 3517

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Propiedades del producto

• ALogP: 1

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C)Br
• IUPAC Name: 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• InChIKey: KWXCNODTHBHSIQ-UHFFFAOYSA-N
• INCHI: 1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
• Isómeros SMILES: CC1=C(C(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C)Br
• PubChem CID: 8310
• Peso molecular: 357.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Halopyrimidines Organosulfonamides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 357.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 355.994 Da
• Monoisotopic Mass: 355.994 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 408.000
• 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: 1