1-(cyclohexylamino)propan-2-yl benzoate

• ChemBase编号: 356
• 分子式: C16H23NO2
• 平均质量: 261.35932
• 单一同位素质量: 261.17287898
• SMILES: O(C(CNC1CCCCC1)C)C(=O)c1ccccc1
• Canonical SMILES: CC(OC(=O)c1ccccc1)CNC1CCCCC1
• InChI: InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
• InChIKey: DKLKMKYDWHYZTD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(cyclohexylamino)propan-2-yl benzoate
• IUPAC传统名: @hexylcaine; hexylcaine
• 商标名: Cyclaine; Hexilcaina [INN-Spanish]; Hexylcaine hydrochloride; Hexylcainum [INN-Latin]; Osmocaine
• 别名: Hexylcaine

登记号

• CAS号: 532-77-4
• PubChem SID: 160963819; 46506241
• PubChem CID: 10770
• CHEMBL: 1197
• Chemspider ID: 10315
• DrugBank ID: DB00473
• KEGG ID: C14172
• 美国药典/FDA物质标识码: 511IU0826Z
• 维基百科标题: Hexylcaine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.6174143
• LogD (pH = 7.4): 1.425658
• Log P: 3.8281648
• 摩尔折射率: 76.2407 cm^3
• 极化性: 30.28334 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.04
• LOG S: -4.43
• 溶解度: 9.71e-03 g/l

分子性质

理化性质

• 疏水性(logP): 3.9

药理学性质

• 半衰期: <10 minutes

详细说明

DrugBank - DB00473

• Drug Groups: approved
• Description: Hexylcaine hydrochloride, also called cyclaine (Merck) or osmocaine, is a short-acting local anesthetic. It acts by inhibiting sodium channel conduction. Overdose can lead to headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function.
• Indication: Used as a local anesthetic for surface application, infiltration or nerve block
• Pharmacology: Hexylcaine is a local ester-class anesthetic. Local anesthetics produce a transient block of nerve conduction by interfering with sodium channels. This effect of the anesthetic interferes with the development of an action potential across the nerve.
• Toxicity: Symptoms of anesthetic overdose include headache, tinnitus, circumoral and tongue paresthesias, restlessness, talkativeness, facial twitching, convulsions, respiratory arrest, and cardiac depression
• Affected Organisms: Humans and other mammals
• Biotransformation: Hydrolyzed by plasma esterases to benzoic acid and other derivatives
• Half Life: <10 minutes
• External Links: Wikipedia