1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid

• ChemBase编号: 73069
• 分子式: C18H15Cl4N3O4
• 平均质量: 479.1414
• 单一同位素质量: 476.9816667
• SMILES: c1c(cc(c(c1)C(OCc1c(cccc1Cl)Cl)Cn1ccnc1)Cl)Cl.[N+](=O)([O-])O
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl.[O-][N+](=O)O
• InChI: InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
• InChIKey: NNGQLSIGRSTLLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid
• IUPAC传统名: isoconazole; nitric acid; acid, nitric; isoconazole
• 别名: Adestan G 100; Fazol; Gyno-Travogen; Isoconazole nitrate; 1-[2-(2,4-Dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-imidazole Mononitrate; Adestan G 100; Fazol; Gyno-Travogen; R 15454; Travogen; Travogyn

登记号

• CAS号: 24168-96-5
• PubChem SID: 162037989
• PubChem CID: 159968

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.4261637
• LogD (pH = 7.4): 5.89066
• Log P: 5.9563684
• 摩尔折射率: 103.0676 cm^3
• 极化性: 40.015152 Å^3
• 极化表面积: 27.05 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 181-183°C

安全信息

• 保存条件: -20°C; Refrigerator

产品相关信息

• 成盐信息: nitrate

详细说明

Selleck Chemicals - S2534

Research Area: Infection
Biological Activity:
Isoconazole nitrate (Travogen) is an azole antifungal reagent. In a clinic study, a total of 40 coal miners, 35 with culturally proven mycotic infections of the feet and 5 with similarly proven infections of toenails due to Hendersonula toruloidea, Scytalidium hyalinum and dermatophytes, were treated with 1% cream of either isoconazole nitrate (R 15454; Travogen; Travogyn) for 4 weeks. The clinical cure rates for the isoconazole-treated group for itching, inflammation, scaling and maceration in the cases of foot infections were 89, 88, 83 and 83% respectively. [1][2]

Toronto Research Chemicals - I798250

Antibacterial; antifungal

参考文献

• Oyeka CA et al. Mycoses. 1992 Nov-Dec; 35(11-12)
• Asikoglu, M., et al.: J. Pharm. Pharmacol., 47, 717 (1995)
• Marrero-Ponce, Y., et al.: Bioorg. Med. Chem., 13, 2881 (1995)