(3Z)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione

• ChemBase编号: 352
• 分子式: C13H11N3O4S2
• 平均质量: 337.37414
• 单一同位素质量: 337.01909785
• SMILES: S1(=O)(=O)N(/C(=C(\O)/Nc2ncccc2)/C(=O)c2sccc12)C
• Canonical SMILES: O/C(=C\1/C(=O)c2sccc2S(=O)(=O)N1C)/Nc1ccccn1
• InChI: InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-
• InChIKey: WZWYJBNHTWCXIM-RAXLEYEMSA-N

名称和登记号

名称

• IUPAC标准名: (3Z)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione
• IUPAC传统名: tenoxicam
• 商标名: Apo-Tenoxicam; Novo-Tenoxicam; Tilcotil
• 别名: Tenoxicamum [INN-Latin]; Tenoxicam

登记号

• CAS号: 59804-37-4
• PubChem SID: 160963815; 46507303
• PubChem CID: 5312154; 54677971

理论计算性质

JChem

• Acid pKa: 7.2076488
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 1.1378545
• LogD (pH = 7.4): 0.8103239
• Log P: 1.221827
• 摩尔折射率: 93.0591 cm^3
• 极化性: 31.345459 Å^3
• 极化表面积: 99.6 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.82
• LOG S: -3.09
• 溶解度: 2.77e-01 g/l

分子性质

理化性质

• 溶解度: 14.1 mg/L
• 疏水性(logP): 1.9

详细说明

DrugBank - DB00469

• Drug Groups: approved
• Description: Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.
• Indication: For the treatment of rheumatoid arthritis, osteoarthritis, backache, and pain.
• Pharmacology: Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.
• Affected Organisms: Humans and other mammals
• Biotransformation: Tenoxicam is metabolized in the liver to several pharmacologically inactive metabolites (mainly 5'-hydroxy-tenoxicam).
• Absorption: Oral absorption of tenoxicam is rapid and complete (absolute bioavailability 100%).
• Half Life: 72 hours (range 59 to 74 hours)
• Protein Binding: 99%