N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride

• ChemBase编号: 155684
• 分子式: C15H23ClN2O
• 平均质量: 282.80892
• 单一同位素质量: 282.14989105
• SMILES: Cc1cccc(c1NC(=O)C1CCCCN1C)C.Cl
• Canonical SMILES: CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H
• InChIKey: RETIMRUQNCDCQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride
• IUPAC传统名: mepivacaine hydrochloride
• 别名: Carbocaina; Chlorocain; Meaverin; Mepicaton; Mepident; Mepivacaine Hydrochloride; Mepivastesin; Optocain; Polocaine; Scandicain; Scandonest; Mepivacaine Hydrochloride; 1-Methyl-2′,6′-pipecoloxylidine hydrochloride; N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide hydrochloride; Mepivacaine hydrochloride; Mepivacaine HCl; N-(2,6-Dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride

登记号

• CAS号: 1722-62-9
• EC号: 217-023-9
• MDL号: MFCD00144738
• PubChem SID: 24896810; 162249822
• PubChem CID: 66070

理论计算性质

• Acid pKa: 13.623901
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.4378594
• LogD (pH = 7.4): 2.9576306
• Log P: 3.1916199
• 摩尔折射率: 76.3197 cm^3
• 极化性: 28.751305 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: White Solid
• 熔点: 255-257°C (dec.)

安全信息

• 保存条件: Refrigerator
• RTECS编号: TK6475000
• 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: 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

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: 95+%; 98.0-102.0%
• 成盐信息: HCl
• 适用性: meets USP testing specifications
• Empirical Formula (Hill Notation): C15H22N2O · HCl

详细说明

Sigma Aldrich - M3189

Biochem/physiol Actions
Local anesthetic. Reversibly blocks transient Na+ inward current, as well as the steady-state K+ outward current. Blocks tandem pore (TASK) and Kv1.5, potassium channels in model systems.

Toronto Research Chemicals - M225060

An anti-inflammatory and analgesic agent. Anesthetic (local).

参考文献

• Reynolds, et al.: Br. J. Anaesth., 43, 33 (1971)
• Tullar, et al.: J. Med. Chem., 14, 891 (1971)
• Aberg, G., et al.: Acta Pharmacol. Toxicol., 31, 273 (1971)