2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride

• ChemBase编号: 131439
• 分子式: C14H25ClN2O2
• 平均质量: 288.8135
• 单一同位素质量: 288.16045573
• SMILES: CCN(CC)CC(=O)Nc1c(cccc1C)C.O.Cl
• Canonical SMILES: CCN(CC(=O)Nc1c(C)cccc1C)CC.O.Cl
• InChI: InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
• InChIKey: YECIFGHRMFEPJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride
• IUPAC传统名: lignocaine hydrate hydrochloride
• 别名: 2-Diethylamino-N-(2,6-dimethylphenyl)acetamide hydrochloride monohydrate; Lignocaine hydrochloride monohydrate; Xylocaine hydrochloride monohydrate; Lidocaine hydrochloride monohydrate; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide Hydrochloride Monohydrate; Basicaina Monohydrate; Batixim Monohydrate; Dynexan Monohydrate; Heweneural Monohydrate; Licain Monohydrate; Lidocaine Hydrochloride Monohydrate

登记号

• CAS号: 6108-05-0
• EC号: 200-803-8
• MDL号: MFCD00150329
• PubChem SID: 24277718; 162225717
• PubChem CID: 16219577

理论计算性质

• Acid pKa: 13.775423
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.6099084
• LogD (pH = 7.4): 2.329713
• Log P: 2.8429134
• 摩尔折射率: 73.9296 cm^3
• 极化性: 27.641424 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; H2O: soluble
• 外观: white solid; White to Off-White Solid
• 熔点: 80-82°C

安全信息

• 保存条件: Refrigerator
• RTECS编号: AN7700000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22
• 安全公开号: 36
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

详细说明

Sigma Aldrich - L5647

Biochem/physiol Actions
Na+ channel blocker; class IB antiarrhythmic that is rapidly absorbed after parenteral administration

Toronto Research Chemicals - L397800

Anesthetic (local); antiarrhythmic (class IB). Long-acting, membrane stabilizing agent against ventricular arrhythmia. Originally developed as a local anesthetic.

参考文献

• Duce, R., et al.: J. Pharmacol. Exp. Ther., 179, 580 (1971)
• Kronberg, G.H., et al.: J. Med. Chem., 16, 739 (1971)
• Groningsson, K., et al.: Anal. Profiles Drug Subs., 14, 207 (1971)
• Davies, P.S., et al.: Drugs, 64, 937 (1971)