4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide

• ChemBase编号: 87521
• 分子式: C13H11N3O4S2
• 平均质量: 337.37414
• 单一同位素质量: 337.01909785
• SMILES: N1(C(=C(c2c(S1(=O)=O)ccs2)O)C(=O)Nc1ncccc1)C
• Canonical SMILES: O=C(C1=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/h2-7,17H,1H3,(H,14,15,18)
• InChIKey: LZNWYQJJBLGYLT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6-thieno[2,3-e][1,2]thiazine-3-carboxamide; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6,5,2-thieno[2,3-e][1λ^6,2]thiazine-3-carboxamide
• IUPAC传统名: @tenoxicam; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6,5,2-thieno[2,3-e][1λ^6,2]thiazine-3-carboxamide; tenoxicam
• 别名: Tenoxicam; 4-Hydroxy-2-methyl-N-pyridin-2-yl-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-Dioxide; Alganex; Dolmen; Epicotil; Liman; Mobiflex; Oxamen-L; Rexalgan; Ro 12-0068; Soral; Tilatil; Tilcotil; Tenoxicam; Tenoxicam(Mobiflex); 4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno(2,3-e)-1,2-thiazine-3-carboxamide 1,1-dioxide; Tenoxicam

登记号

• CAS号: 59804-37-4
• MDL号: MFCD00083502
• PubChem SID: 24899922; 162074561
• PubChem CID: 54677971

理论计算性质

• Acid pKa: 2.2100077
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -1.2256131
• LogD (pH = 7.4): -1.9054034
• Log P: -0.115899466
• 摩尔折射率: 83.9334 cm^3
• 极化性: 31.410032 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

分子性质

理化性质

• 溶解度: Dimethyl Sulfoxide
• 外观: Yellow Solid
• 熔点: 209-213°C (dec)

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Irritant
• RTECS编号: XJ9095060
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 23/24/25
• 安全公开号: 36/37/39-45; 4-9-20-27-36/37-45-60
• TSCA收录: 否
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331
• GHS警示性声明: P261-P280-P301 + P310-P311; P261-P301+P310-P361-P302+P352-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

药理学性质

• 作用靶点: Others
• 生物活性机理: Non-selective COX inhibitor

产品相关信息

• 纯度: 97%
• 成盐信息: Free Base
• 应用领域: Analgesic; Antiinflammatory agent

详细说明

Sigma Aldrich - T0909

Biochem/physiol Actions
Non-steroidal antiinflammatory drug (NSAID) with comparatively low risk of renal or hepatic toxicity.1

Toronto Research Chemicals - T019500

Nonsteroidal anti-inflamatory agent.

参考文献

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