sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate

• ChemBase编号: 4361
• 分子式: C13H16N3NaO4S
• 平均质量: 333.33861
• 单一同位素质量: 333.07592129
• SMILES: S(=O)(=O)([O-])CN(c1c(n(n(c1=O)c1ccccc1)C)C)C.[Na+]
• Canonical SMILES: CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
• InChIKey: DJGAAPFSPWAYTJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate
• IUPAC传统名: sodium metamizole(1-); potassium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)(methyl)amino]methanesulfonate
• 商标名: Alginodia; Algocalmin; Algopyrine; Bonpyrin; Conmel; Di-podil; Dimethone; Diprofarn; Farmolisina; Feverall; Fevonil; Gifaril; Keypyrone; Metapyrin; Methylmelubrin; Metilon; Narone; Neo-melubrine; Neomelurbrin; Nevralgina; Novaldin; Novalgetol; Noveltex; Optalgin; Paralgin; Pharmalgine; Pyralgin; Pyretin; Pyrojec; Sulpin; Sulpyrin; Sulpyrine; Sulpyrinum; Barone; Analgin; Novalgin
• 别名: 安乃近; Dipyrone; Metamizol monohydrate; Metamizolum natricum [latin]; Methampyrone; Methylaminoantipyrine sodium methanesulfonate; Methylaminophenyldimethylpyrazolone methanesulfonate sodium; Analgine; Analginum; ARPF; Dipyrone; Aminopyrine sodium sulfonate; Dipyrone monohydrate; Metamizole; Metamizole sodique [inn-french]; Metamizole sodium; Metamizolnatrium; Metamizolo sodico [dcit]; Metamizolo [italian]; Metamizolum; Metamizolum natricum [inn-latin]; Metamizol sodico [spanish]; Metamizol; Meamizol sodico [inn-spanish]

登记号

• CAS号: 68-89-3
• EC号: 200-694-7
• MDL号: MFCD00020783
• PubChem SID: 46509035; 160967793; 24894234
• PubChem CID: 522325

理论计算性质

JChem

• Acid pKa: -1.2302347
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -2.2487726
• LogD (pH = 7.4): -2.2488215
• Log P: -0.8157939
• 摩尔折射率: 78.9195 cm^3
• 极化性: 30.30252 Å^3
• 极化表面积: 83.99 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.07
• LOG S: -1.76
• 溶解度: 5.80e+00 g/l

分子性质

安全信息

• RTECS编号: PB1300000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 42/43
• 安全公开号: 36
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H317-H334
• GHS警示性声明: P261-P280-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 级别: analytical standard
• 线性分子式: C13H16N3O4SNa

详细说明

DrugBank - DB04817

• Drug Groups: withdrawn
• Description: Dipyrone, formerly marketed as Dimethone tablets and injection, Protemp oral liquid, and other drug products, was associated with potentially fatal agranulocytosis. Approvals of the NDA's for dipyrone drug products were withdrawn on June 27, 1977 (see the Federal Register of June 17, 1977 (42 FR 30893)). Withdrawn from the Canadian market in 1963.
• Indication: Used in the past as a powerful painkiller and fever reducer.
• Pharmacology: Dipyrone is a non-steroidal anti-inflammatory drug (NSAID), commonly used in the past as a powerful painkiller and fever reducer.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia

Sigma Aldrich - D8890

Biochem/physiol Actions
非甾体抗炎药，与吗啡并服时，能增强镇痛作用，延缓耐受。安乃近是环氧酶-3 (COX-3) 具有相对选择性的抑制剂，对 COX-1 的活性较低，对 COX-2 没有活性。以几种模式阻止 PGE2 引起的痛觉过敏。