Zonisamida-d4 - ≥95 átomo% D,≥95% , CAS No.1020720-04-0

CAS: 1020720-04-0 Cat. No.: Z334653 Fórmula: C₈H₄D₄N₂O₃S Peso molecular: 216.25 Número EC: 691-309-5 PubChem CID: 45040707

GRADE & PURITY ≥95 atom% D,≥95%

Synonyms

1-[(~2~H_4_)-1,2-Benzoxazol-3-yl]methanesulfonamide | 3-(Sulfamoylmethyl)-1,2-benzisoxazole-d4 | 1020720-04-0 | 1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide | Zonisamide-d4 | [(4,5,6,7-?H?)-1,2-benzoxazol-3-yl]methanesulfonamide | 1,2-BENZISOXAZOLE-3

Storage

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

La zonisamida-d4 es un agente anticonvulsivo sulfonamida marcado que bloquea el disparo repetitivo de los canales de sodio sensibles al voltaje y reduce las corrientes de calcio de tipo T sensibles al voltaje. Es una metanosulfonida heterocíclica con propiedades anticonvulsivantes.

Specifications

Sinónimos

1-[(~2~H_4_)-1,2-Benzoxazol-3-yl]methanesulfonamide | 3-(Sulfamoylmethyl)-1,2-benzisoxazole-d4 | 1020720-04-0 | 1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide | Zonisamide-d4 | [(4,5,6,7-?H?)-1,2-benzoxazol-3-yl]methanesulfonamide | 1,2-BENZISOXAZOLE-3

Especificaciones y pureza

≥95 átomo% D,≥95%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95 atom% D,≥95%

Nombres e identificadores

• Pubchem Sid: 528770922
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
• IUPAC Name: (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide
• InChIKey: UBQNRHZMVUUOMG-RHQRLBAQSA-N
• INCHI: 1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)/i1D,2D,3D,4D
• Isómeros SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=NO2)CS(=O)(=O)N)[2H])[2H]
• RTECS: DE4930000
• PubChem CID: 45040707
• Peso molecular: 216.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: Organosulfonamides Organic sulfonamides Benzenoids Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzisoxazole - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Oxacycle - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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 DMF and DMSO
• Punto de fusión (°C): 163-165° C
• Peso molecular: 216.250 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.051 Da
• Monoisotopic Mass: 216.051 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 298.000
• 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