5-[(methylsulfanyl)methyl]-3-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1,3-oxazolidin-2-one

• ChemBase编号: 175148
• 分子式: C10H11N3O5S
• 平均质量: 285.27644
• 单一同位素质量: 285.04194147
• SMILES: c1(ccc(o1)/C=N/N1CC(OC1=O)CSC)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(o1)/C=N/N1CC(OC1=O)CSC
• InChI: InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
• InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-N

名称和登记号

名称

• IUPAC标准名: 5-[(methylsulfanyl)methyl]-3-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1,3-oxazolidin-2-one
• IUPAC传统名: omnes
• 别名: 5-[(Methylthio)methyl]-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone; 3-[(5-Nitro-2-furfurylidene)amino]-5-[(methylthio)methyl]-2-oxazolidinone; 5-(Methylmercaptomethyl)-3-(5-nitro-2-furfurylidenamino)-2-oxazolidinone; Inimur; Macmiror; Magmilor; Methylmercadone; NF 113; Omnes; Polmiror; SAP 113; Tydantil; Nifuratel

登记号

• CAS号: 4936-47-4
• PubChem SID: 164231058
• PubChem CID: 6433427

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7220606
• LogD (pH = 7.4): 1.7220606
• Log P: 1.7220606
• 摩尔折射率: 67.8813 cm^3
• 极化性: 25.312727 Å^3
• 极化表面积: 100.86 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: Acetone (Sparingly); Methanol (sparingly)
• 外观: Yellow Solid
• 熔点: 176-178°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - N458250

Nifuratel is a drug used as an antibacterial, antifungal, antiprotozoal (Trichomonas). Nifuratel appears to have a broad antibacterial spectrum of action and is effective against Chlamydia trachomatis and Mycoplasma spp. as well as fungal infections from

参考文献

• Nam, H., et al.: J. Microbiol., 45, 515 (2007)
• Costerton, W., et al.: J. Clin. Invest., 112, 1466 (2007)
• Ferris, M., et al.: J. Clin. Microbiol., 42, 5892 (2007)