trimethyl-1,3-oxazolidine-2,4-dione

• ChemBase编号: 231
• 分子式: C6H9NO3
• 平均质量: 143.14056
• 单一同位素质量: 143.05824315
• SMILES: O1C(C(=O)N(C1=O)C)(C)C
• Canonical SMILES: O=C1OC(C(=O)N1C)(C)C
• InChI: InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
• InChIKey: IRYJRGCIQBGHIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl-1,3-oxazolidine-2,4-dione
• IUPAC传统名: trimethadione
• 商标名: Absentol; Absetil; Convenixa; Convexina; Edion; Epidione; Epidone; Epixal; Etydion; Mino-Aleviatin; Minoaleuiatin; Minoaleviatin; Neo-Absentol; Petidion; Petidon; Petilep; Petimalin; Pitmal; Ptimal; Tioxanona; Tredione; Tricione; Tridilona; Tridion; Tridione; Tridone; Trilidona; Trimedal; Trimedone; Trimethin; Trimetin; Trioxanona; Triozanona; Tromedone; Troxidone
• 别名: 三甲双酮; 3,5,5-三甲基噁唑烷-2,4-二酮; Trimethadione; 3,5,5-Trimethyloxazolidine-2,4-dione; Trimethadion; Trimetadione; Trimethdione; Trimethadione; 3,5,5,-Trimethyloxazolidine-2,4-dione

登记号

• CAS号: 127-48-0
• EC号: 204-845-8
• MDL号: MFCD00047084
• Beilstein号: 121627
• 默克索引号: 149706
• PubChem SID: 46504478; 24899914; 160963694
• PubChem CID: 5576

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.50414634
• LogD (pH = 7.4): 0.50414634
• Log P: 0.50414634
• 摩尔折射率: 33.2002 cm^3
• 极化性: 13.1389475 Å^3
• 极化表面积: 46.61 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.07
• LOG S: 0.17
• 溶解度: 2.12e+02 g/l

分子性质

理化性质

• 溶解度: 50 g/L
• 熔点: 45-48°C
• 沸点: 78-80°C/5mm
• 疏水性(logP): 0

安全信息

• RTECS编号: RQ2100000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 61; 61-20/21/22
• 安全公开号: 53-22-36/37/39-45; 53-45
• TSCA收录: 否
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H312-H332-H360; H360-H303
• GHS警示性声明: P201-P280-P308 + P313; P281-P201-P312-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• 纯度: 98%
• 级别: analytical standard, for drug analysis

详细说明

DrugBank - DB00347

• Drug Groups: approved
• Description: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)
• Indication: Used in the control of absence (petit mal) seizures that are refractory to treatment with other medications.
• Pharmacology: Paramethadione and trimethadione are anticonvulsants indicated in the control of absence (petit mal) seizures that are refractory to treatment with other medications. Dione anticonvulsants are used in the treatment of epilepsy. They act on the central nervous system (CNS) to reduce the number of seizures.
• Toxicity: Symptoms of overdose include clumsiness or unsteadiness, coma, dizziness (severe), drowsiness (severe), nausea (severe), and problems with vision.
• Affected Organisms: Humans and other mammals
• Protein Binding: 90%
• External Links: Wikipedia; Drugs.com