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

CAS: 1020720-04-0 Cat. No.: Z334653 분자식: C₈H₄D₄N₂O₃S 분자량: 216.25 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥95 atom% D,≥95%

보관 조건

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

배송

Ice chest + Ice pads

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순수함

≥95 atom% D,≥95%

이름과 식별자

• Pubchem Sid: 528770922
• 정식 스마일: 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
• 이성체 SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=NO2)CS(=O)(=O)N)[2H])[2H]
• RTECS: DE4930000
• PubChem CID: 45040707
• 분자량: 216.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in DMF and DMSO
• 녹는점(°C): 163-165° C
• 분자량: 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