1-1,2-benzoxazol-3-yl-N-sodiomethanesulfonamide

• ChemBase ID: 155586
• Molecular Formular: C8H7N2NaO3S
• Molecular Mass: 234.20755
• Monoisotopic Mass: 234.00750738
• SMILES: c1ccc2c(c1)c(no2)CS(=O)(=O)N[Na]
• Canonical SMILES: [Na]NS(=O)(=O)Cc1noc2c1cccc2
• InChI: InChI=1S/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1
• InChIKey: ZVBIRPKGWOVBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-1,2-benzoxazol-3-yl-N-sodiomethanesulfonamide
• IUPAC Traditional name: 1-1,2-benzoxazol-3-yl-N-sodiomethanesulfonamide
• Synonyms: 1,2-Benzisoxazole-3-methanesulfonamide sodium-potassium salt; Aleviatin sodium-potassium salt; Exceglan sodium-potassium salt; Excegram sodium-potassium salt; Zonisamide sodium salt

Database IDs

• CAS Number: 68291-98-5
• MDL Number: MFCD01744844
• PubChem SID: 162249724; 24278783
• PubChem CID: 4099656

CALCULATED PROPERTIES

• Acid pKa: 8.984555
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.64901507
• LogD (pH = 7.4): -0.6064833
• Log P: -0.6496
• Molar Refractivity: 49.4984 cm^3
• Polarizability: 22.670168 Å^3
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: >5 mg/mL
• Apperance: white to beige powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C8H7N2NaO3S

DETAILS

Sigma Aldrich - Z2001

Biochem/physiol Actions
Zonisamide sodium salt is an anti-epileptic. It is effective in various animal epilepsy models and humans with both partial and generalized epileptic seizures. Zonisamide sodium salt also scavenges nitric oxide (NO).