sodium 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1-dioxo-2H-1λ6,2-benzothiazin-4-olate hydrate

• ChemBase编号: 133726
• 分子式: C14H14N3NaO5S2
• 平均质量: 391.39783
• 单一同位素质量: 391.02725684
• SMILES: Cc1cnc(s1)NC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)[O-].O.[Na+]
• Canonical SMILES: Cc1cnc(s1)NC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1C.O.[Na+]
• InChI: InChI=1S/C14H13N3O4S2.Na.H2O/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2;;/h3-7,18H,1-2H3,(H,15,16,19);;1H2/q;+1;/p-1
• InChIKey: IZBZAOZGNNQKPJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1-dioxo-2H-1λ^6,2-benzothiazin-4-olate hydrate
• IUPAC传统名: sodium 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1-dioxo-1λ^6,2-benzothiazin-4-olate hydrate
• 别名: 4-Hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide sodium hydrate; Metacam sodium salt hydrate; Mobec sodium salt hydrate; UH-AC 62XX sodium salt hydrate; Meloxicam sodium salt hydrate

登记号

• CAS号: 71125-39-8(anhydrous)
• MDL号: MFCD11046047
• PubChem SID: 24278802; 162228003
• PubChem CID: 23702962

理论计算性质

• Acid pKa: 4.47116
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.53962874
• LogD (pH = 7.4): -0.97548914
• Log P: 1.6005814
• 摩尔折射率: 99.1752 cm^3
• 极化性: 32.875427 Å^3
• 极化表面积: 102.43 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: DMSO: soluble; H2O: soluble
• 外观: yellow

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26
• RID/ADR: UN 2811 6.1/PG 3

详细说明

Sigma Aldrich - M3935

Biochem/physiol Actions
Meloxicam, a member of the oxicam family, is a non-steroidal anti-inflammatory drug (NSAID) that shows 300-fold selectivity for cyclooxygenase-2 (COX-2) vs cyclooxygenase-1 (COX-1). Meloxicam has been shown to abolish thymulin-induced increases of cytokines and NGF in the liver of rats. Meloxicam also suppresses tumor growth and may be capable of antagonizing cachexia in vitro.