{[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium bromide

• ChemBase编号: 105756
• 分子式: C16H27BrN2O
• 平均质量: 343.30238
• 单一同位素质量: 342.13067549
• SMILES: [Br-].CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C
• Canonical SMILES: CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)CC.[Br-]
• InChI: InChI=1S/C16H26N2O.BrH/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5;/h9-11H,6-8,12H2,1-5H3;1H
• InChIKey: DLHMKHREUTXMCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium bromide
• IUPAC传统名: {[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium bromide
• 别名: N-(2,6-二甲苯基氨甲酰甲基)三乙基溴化铵; 利多卡因 N-乙基溴; QX-314; Lidocaine N-ethyl bromide; Lidocaine N-ethyl bromide; N-(2,6-Dimethylphenylcarbamoylmethyl)triethylammonium bromide; QX-314

登记号

• CAS号: 21306-56-9
• MDL号: MFCD00083182
• PubChem SID: 162092802; 24277845
• PubChem CID: 9884487

理论计算性质

• Acid pKa: 12.140139
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.9626092
• LogD (pH = 7.4): -0.9621279
• Log P: -0.9626153
• 摩尔折射率: 94.5918 cm^3
• 极化性: 31.261957 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C, Protect from light
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 级别: analytical standard, for drug analysis
• Empirical Formula (Hill Notation): C16H27BrN2O

详细说明

MP Biomedicals - 02193948

A quarternary lidocaine derivative which acts as a local anesthetic. It is a strong inhibitor of intracellular voltage-sensitive sodium ion conductance.

Sigma Aldrich - L5783

Biochem/physiol Actions
A quaternary derivative of lidocaine that is not membrane permeable. Blocks both fast Na+-dependent action potentials and voltage-dependent, non-inactivating Na+ conductance.

参考文献

• Conners, et al., J. Pharmacol. Exp. Ther. , 220 : 476, (1982).