methyl(naphthalen-1-ylmethyl)(3-phenylprop-2-en-1-yl)amine

• ChemBase编号: 616
• 分子式: C21H21N
• 平均质量: 287.39814
• 单一同位素质量: 287.16739968
• SMILES: N(Cc1c2c(ccc1)cccc2)(CC=Cc1ccccc1)C
• Canonical SMILES: CN(Cc1cccc2c1cccc2)CC=Cc1ccccc1
• InChI: InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3
• InChIKey: OZGNYLLQHRPOBR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(naphthalen-1-ylmethyl)(3-phenylprop-2-en-1-yl)amine
• IUPAC传统名: naftifine
• 商标名: Naftifine HCl; Naftin
• 别名: Naftifine

登记号

• CAS号: 65472-88-0
• PubChem SID: 160964079; 46504777
• PubChem CID: 47641; 73342

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0022733
• LogD (pH = 7.4): 3.5597782
• Log P: 5.238508
• 摩尔折射率: 95.9821 cm^3
• 极化性: 38.28094 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 4.96
• LOG S: -6.1
• 溶解度: 2.29e-04 g/l

分子性质

理化性质

• 疏水性(logP): 5.4

详细说明

DrugBank - DB00735

• Drug Groups: approved
• Description: Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative for the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.
• Indication: For the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.
• Pharmacology: Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative. The following in vitro data are available, but their clinical significance is unknown. Naftifine has been shown to exhibit fungicidal activity in vitro against a broad spectrum of organisms including Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans, Epidermophyton floccosum, and Microsporum canis, Microsporum audouini, and Microsporum gypseum; and fungistatic activity against Candida species including Candida albicans. However it is only used to treat the organisms listed in the indications.
• Affected Organisms: Yeast and other fungi
• Absorption: Following single topical applications of 3H-labeled naftifine gel 1% to the skin of healthy subjects, up to 4.2% of the applied dose was absorbed.
• Half Life: Approximately 2 to 3 days following topical administration.
• Elimination: Naftifine and/or its metabolites are excreted via the urine and feces with a half-life of approximately two to three days.
• External Links: Wikipedia; RxList; Drugs.com