2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole; butanedioic acid

• ChemBase编号: 153936
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: c1ccc(cc1)C1(CC1C1=NCCN1)c1ccccc1.C(CC(=O)O)C(=O)O
• Canonical SMILES: c1ccc(cc1)C1(CC1C1=NCCN1)c1ccccc1.OC(=O)CCC(=O)O
• InChI: InChI=1S/C18H18N2.C4H6O4/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8)
• InChIKey: XFUIOIWYMHEPIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole; butanedioic acid
• IUPAC传统名: cibenzoline; succinic acid
• 别名: Cibenzoline 琥珀酸盐; 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole succinate; Cibenol; Cipralan; Exacor; Cibenzoline succinate

登记号

• CAS号: 100678-32-8
• MDL号: MFCD00941423
• PubChem SID: 162248075; 24892426
• PubChem CID: 57952

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.5896941
• LogD (pH = 7.4): 0.6862473
• Log P: 3.0037708
• 摩尔折射率: 91.4547 cm^3
• 极化性: 31.341692 Å^3
• 极化表面积: 24.39 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≥5 mg/mL
• 外观: white to off-white solid

安全信息

• RTECS编号: EJ9960100
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97% (NMR)
• Empirical Formula (Hill Notation): C18H18N2 ·C4H6O4

详细说明

Sigma Aldrich - C1618

Biochem/physiol Actions
Cibenzoline is a class IA antiarrhythmic drug. Cibenzoline (μM concentrations) blocks ATP-sensitive K channels in heart and pancreatic cells. Cibenzoline interacts with the channel pore-forming subunit of the K(ATP) channel (Kir6.2) from the cytoplasmic side. Cibenzoline also inhibits the delayed rectifier K current [I(Kr)] in sino-atrial node cells.