Sulfamethoxazole-d4 - ≥97 atom% D,≥98% , CAS No.1020719-86-1

CAS: 1020719-86-1 Cat. No.: S335274 Peso molecular: 257.3 PubChem CID: 45040440

GRADE & PURITY ≥97 atom% D,≥98%

Synonyms

Sulfamethoxazole-d4 | 3-(p-Amino(benzene-d4)sulfonamido)-5-methylisoxazole | 1ST4050 | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)(?H?)benzene-1-sulfonamide | ES-2607 | Ro 4-2130 D4 | Sulfamethoxazole D4 (benzene D4) | AKOS037652828 | F91330 | Sulfamethoxazole D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Sulfamethoxazole-d4 is the isotopically labeled antibacterial drug Sulfamethoxazole. Sulfonamide antibiotics that block the synthesis of dihydrofolic acid by inhibiting the enzyme dihydropteroate synthase.

Specifications

Sinónimos

Sulfamethoxazole-d4 | 3-(p-Amino(benzene-d4)sulfonamido)-5-methylisoxazole | 1ST4050 | 4-amino-N-(5-methyl-1, 2-oxazol-3-yl)(?H?)benzene-1-sulfonamide | ES-2607 | Ro 4-2130 D4 | Sulfamethoxazole D4 (benzene D4) | AKOS037652828 | F91330 | Sulfamethoxazole D

Especificaciones y pureza

≥97 atom% D, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥97 atom% D, ≥98%

Nombres e identificadores

• Pubchem Sid: 504770516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770516
• Sonrisas canónicas: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
• InChIKey: JLKIGFTWXXRPMT-QFFDRWTDSA-N
• INCHI: 1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2D,3D,4D,5D
• Isómeros SMILES: [2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NOC(=C2)C)[2H]
• CAS alternativo: 723-46-6
• PubChem CID: 45040440
• Peso molecular: 257.3

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 Organosulfonamides Imidolactams Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Imidolactam - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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

• Solubilidad: Soluble in DMSO and Methanol
• Punto de fusión (°C): 162-165° C
• Peso molecular: 257.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 257.077 Da
• Monoisotopic Mass: 257.077 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 4
• 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