4-hydroxy-N,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

• ChemBase编号: 159782
• 分子式: C15H15N3O4S2
• 平均质量: 365.4273
• 单一同位素质量: 365.05039798
• SMILES: c1cccc2c1C(=C(N(S2(=O)=O)C)C(=O)N(c1ncc(s1)C)C)O
• Canonical SMILES: Cc1cnc(s1)N(C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)C
• InChI: InChI=1S/C15H15N3O4S2/c1-9-8-16-15(23-9)17(2)14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)3/h4-8,19H,1-3H3
• InChIKey: GEXSYKOSERXHIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-N,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ^6,2-benzothiazine-3-carboxamide
• IUPAC传统名: 4-hydroxy-N,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ^6,2-benzothiazine-3-carboxamide
• 别名: 4-Hydroxy-N,2-dimethyl-N-(5-methyl-2-thiazolyl)- 2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide; Amido Methyl Meloxicam (Meloxicam Impurity)

登记号

• CAS号: 892395-41-4
• PubChem SID: 162253917
• PubChem CID: 54677942

理论计算性质

• Acid pKa: 4.52033
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.4477318
• LogD (pH = 7.4): -1.0887673
• Log P: 1.4646474
• 摩尔折射率: 91.7408 cm^3
• 极化性: 34.97881 Å^3
• 极化表面积: 90.81 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A576790

Amido Methyl Meloxicam is an impurity of Meloxicam (M216100).

参考文献

• Lazer, E., et al.: J. Med. Chem., 40, 980 (1997)