Zonisamide-d4 - ≥95 atom% D,≥95% , CAS No.1020720-04-0

CAS: 1020720-04-0 Cat. No.: Z334653 Molecular Weight: 216.25 EC Number: 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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Zonisamide-d4 is a labeled sulfonamide antiseizure agent which blocks repetitive firing of voltagesensitive sodium channels and reduces voltage-sensitive T-type calcium currents. It is a heterocyclic methanesulfonide with anticonvulsant properties.

Specifications

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

Specifications & Purity

≥95 atom% D, ≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95 atom% D, ≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=NO2)CS(=O)(=O)N)[2H])[2H]
• RTECS: DE4930000
• PubChem CID: 45040707
• Molecular Weight: 216.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in DMF and DMSO
• Melt Point(°C): 163-165° C
• Molecular Weight: 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