7-chloro-3-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-1,1-dione

• ChemBase ID: 133101
• Molecular Formular: C8H9ClN2O2S
• Molecular Mass: 232.68726
• Monoisotopic Mass: 232.00732622
• SMILES: CC1Nc2ccc(cc2S(=O)(=O)N1)Cl
• Canonical SMILES: CC1Nc2ccc(cc2S(=O)(=O)N1)Cl
• InChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
• InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3-methyl-3,4-dihydro-2H-1λ^6,2,4-benzothiadiazine-1,1-dione
• IUPAC Traditional name: idra-21
• Synonyms: 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide; IDRA 21

Database IDs

• CAS Number: 22503-72-6
• MDL Number: MFCD00270874
• PubChem SID: 162227378; 24896078
• PubChem CID: 3688

CALCULATED PROPERTIES

• Acid pKa: 9.641784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0478566
• LogD (pH = 7.4): 1.0456849
• Log P: 1.0478843
• Molar Refractivity: 55.794 cm^3
• Polarizability: 21.65294 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%

DETAILS

Sigma Aldrich - I5773

Biochem/physiol Actions
Blocks the rapid desensitization of the AMPA receptors and markedly prolongs the decay time of the evoked excitatory post-synaptic current.