1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one

• ChemBase编号: 527
• 分子式: C18H27NO2
• 平均质量: 289.41248
• 单一同位素质量: 289.20417911
• SMILES: O=C(CCN1CCCCC1)c1ccc(OCCCC)cc1
• Canonical SMILES: CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
• InChI: InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
• InChIKey: BZEWSEKUUPWQDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
• IUPAC传统名: dyclonine
• 商标名: Diclonia; Diclonina; Diclonina [INN-Spanish]; Dyclocaine; Dyclocainum; Dyclone; Dyclonin; Dyclonine HCL; Dyclonine hydrochloride; Dycloninum [INN-Latin]; Dyclothane; Tanaclone; Sucrets
• 别名: Dyclonine

登记号

• CAS号: 586-60-7
• PubChem SID: 46506697; 160963990
• PubChem CID: 3180
• CHEBI ID: 4724
• ATC码: R02AD04; N01BX02
• CHEMBL: 1201217
• Chemspider ID: 3068
• DrugBank ID: DB00645
• KEGG ID: D07881
• 美国药典/FDA物质标识码: 078A24Q30O
• 维基百科标题: Dyclonine

理论计算性质

JChem

• Acid pKa: 15.88437
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9010787
• LogD (pH = 7.4): 2.6680264
• Log P: 3.6759984
• 摩尔折射率: 87.068 cm^3
• 极化性: 33.962772 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.11
• LOG S: -3.8
• 溶解度: 4.60e-02 g/l

分子性质

理化性质

• 溶解度: Soluble (HCl salt)
• 疏水性(logP): 3.7

详细说明

DrugBank - DB00645

• Drug Groups: approved
• Description: Dyclonine is an oral anaesthetic found in Sucrets, an over the counter throat lozenge. It is also found in some varieties of the Cepacol sore throat spray.
• Indication: Used to provide topical anesthesia of accessible mucous membranes prior to examination, endoscopy or instrumentation, or other procedures involving the esophagus, larynx, mouth, pharynx or throat, respiratory tract or trachea, urinary tract, or vagina. Also used to suppress the gag reflex and/or other laryngeal and esophageal reflexes to facilitate dental examination or procedures (including oral surgery), endoscopy, or intubation. Also used for relief of canker sores, cold sores or fever blister.
• Pharmacology: Dyclonine is an oral anasthetic. If substantial quantities of local anesthetics are absorbed through the mucosa, actions on the central nervous system (CNS) may cause CNS stimulation and/or CNS depression. Actions on the cardiovascular system may cause depression of cardiac conduction and excitability and, with some of these agents, peripheral vasodilation.
• Toxicity: Symptoms of overdose include cardiovascular system depression, CNS toxicity, and methemoglobinemia.
• Affected Organisms: Humans and other mammals
• Absorption: Readily absorbed through mucous membranes into the systemic circulation. The rate of absorption is influenced by the vascularity or rate of blood flow at the site of application, the total dosage (concentration and volume) administered, and the duration of exposure. Absorption from mucous membranes of the throat or respiratory tract may be especially rapid.
• Half Life: Approximately 30 to 60 minutes.
• External Links: Wikipedia; Drugs.com