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

• ChemBase编号: 133101
• 分子式: C8H9ClN2O2S
• 平均质量: 232.68726
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 7-chloro-3-methyl-3,4-dihydro-2H-1λ^6,2,4-benzothiadiazine-1,1-dione
• IUPAC传统名: idra-21
• 别名: 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide; IDRA 21

登记号

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

理论计算性质

• Acid pKa: 9.641784
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.0478566
• LogD (pH = 7.4): 1.0456849
• Log P: 1.0478843
• 摩尔折射率: 55.794 cm^3
• 极化性: 21.65294 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98%

详细说明

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.