N-(2-methylphenyl)-2-(propylamino)propanamide hydrochloride

• ChemBase编号: 130781
• 分子式: C13H21ClN2O
• 平均质量: 256.77164
• 单一同位素质量: 256.13424098
• SMILES: CCCNC(C)C(=O)Nc1ccccc1C.Cl
• Canonical SMILES: CCCNC(C(=O)Nc1ccccc1C)C.Cl
• InChI: InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H
• InChIKey: BJPJNTKRKALCPP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methylphenyl)-2-(propylamino)propanamide hydrochloride
• IUPAC传统名: prilocaine hydrochloride
• 别名: N-(2-甲基苯基)-2-丙胺-丙酰胺 盐酸盐; 丙胺卡因 盐酸盐; N-(3-Methylphenyl)-2-(propylamino)propanamide Hydrochloride; 2-(Propylamino)-m-propionotoluidide Hydrochloride; N-(2-Methylphenyl)-2-(propylamino)propanamide Hydrochloride; 2-(Propylamino)-o-propionotoluidide Hydrochloride; Citanest Hydrochloride; L 67; L 67 Hydrochloride; Prilocaine Chloride; Xylonest; Prilocaine Hydrochloride; Prilocaine hydrochloride

登记号

• CAS号: 1786-81-8; 878791-35-6
• EC号: 217-244-0
• MDL号: MFCD00079279
• PubChem SID: 24898404; 24278664; 162225059
• PubChem CID: 92163

理论计算性质

• Acid pKa: 13.509082
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.29579815
• LogD (pH = 7.4): 1.2547785
• Log P: 2.6809227
• 摩尔折射率: 67.863 cm^3
• 极化性: 25.874826 Å^3
• 极化表面积: 41.13 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: DMSO; Methanol
• 外观: White Solid
• 熔点: 168-170°C

安全信息

• 保存条件: Refrigerator
• RTECS编号: UG5775000
• 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% (TLC)
• 适用性: meets USP testing specifications

详细说明

Sigma Aldrich - P9547

Biochem/physiol Actions
Used for local nerve block and for spinal anesthesia; pharmacological properties are similar to those of lidocaine.

Toronto Research Chemicals - P834500

A substituted toluidide for use as local anaesthetics.

Toronto Research Chemicals - P725000

Prilocaine is a local anesthetic of the amino amide type. Prilocaine is often used in dentistry. Prilocaine is also often combined with lidocaine as a preparation for dermal anesthesia (lidocaine/prilocaine or EMLA), for treatment of conditions like pares

参考文献

• Nussbaum, M., et al.: J. Pharm. Biomed. Anal., 27, 983 (2002)
• Caliaro, G., et al.: J. Pharm. Biomed. Anal., 26, 427 (2001)
• Ulmeanu, S., et al.: Pharm. Res., 20, 1317 (2001)