基本情報
- CAS
127-48-0- 標準SMILES
CN1C(=O)OC(C)(C)C1=O- InChIKey
IRYJRGCIQBGHIV-UHFFFAOYSA-N- 分子式
- C6H9NO3
- 平均分子量
- 143.14 g/mol
- 単同位体質量
- 143.05824315
概要
Trimethadione can cause developmental toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Trimethadione
- IUPAC
- 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
- 現地名
- トリメタジオン
- 英語名
- 3,5,5-Trimethyloxazolidine-2,4-dione
- 分子式
- C6H9NO3
- 分子量
- 143.14
名称と別名
trimethadione127-48-0TridioneTroxidoneTrimethadionAbsentolEpidioneTrimetadioneMinoaleviatinPtimalConvenixaPetimalin
名称をさらに表示
ミノアレトリメダールミノアレビアチンエピジオンペチドンアブセントールトリメタジオン3,5,5-トリメチル-2,4-オキサゾリジンジオントロキシドントリジオンプチマールトリメドン3,5,5,-トリメチルオキサゾリジン-2,4-ジオントリメタジオン (JP17)トリメチル-1,3-オキサゾリジン-2,4-ジオンa2297A 2297PitmalEpidoneEtydionPetidon
AbsetilEpixalPetilepEdionTridone3,5,5-Trimethyl-1,3-oxazolidine-2,4-dioneTrimetadionaTrimethadionum
データベース識別子
- CAS
127-48-0- PubChem CID
- 5576
- DTXSID
DTXSID9021396- ChEMBL
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 46.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 197
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antiepileptics
SpringerMaterials PropertiesCrystal structure
LogP-0.37
Solubility
2.12e+02 g/L
<0.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point46 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 45 · 45-46°C
- 沸点
- 78 · 78-80°C 5mm
- 比重(密度)
- 1.3075 · 1.3075 (rough estimate)
- 屈折率
- 1.429 · 1.4290 (estimate)
- 闪点
- 78 · 78-80°C/5mm
- 貯蔵温度
- Inert atmosphere,Room Temperature
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hazard Traits - Developmental Toxicity
2,4-Oxazolidinedione, 3,5,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (87%)
毒性情報
Health EffectsMay cause a potentially dangerous rash that may develop into Stevens Johnson syndrome, an extremely rare but potentially fatal skin disease.
Toxicity Summary
Dione anticonvulsants reduce T-type calcium currents in thalamic neurons, including thalamic relay neurons. It does so via the inhibition of voltage dependent T-type calcium channels. This raises the threshold for repetitive activity in the thalamus, and inhibits corticothalamic transmission. Thus, the abnormal thalamocortical rhythmicity, which is thought to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram(EEG) with absence seizures, is dampened.
Signs and SymptomsSymptoms of overdose include clumsiness or unsteadiness, coma, dizziness (severe), drowsiness (severe), nausea (severe), and problems with vision.
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Protein Binding90%
Pharmacodynamics
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.
Mechanism of Action
Dione anticonvulsants reduce T-type calcium currents in thalamic neurons, including thalamic relay neurons. It does so via the inhibition of voltage dependent T-type calcium channels. This raises the threshold for repetitive activity in the thalamus, and inhibits corticothalamic transmission. Thus, the abnormal thalamocortical rhythmicity, which is thought to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram(EEG) with absence seizures, is dampened.
Metabolism/MetabolitesTrimethadione has known human metabolites that include Dimethadione.
FDA Pharmacological Classification
R7GV3H6FQ4
TRIMETHADIONE
Established Pharmacologic Class [EPC] - Anti-epileptic Agent
Physiologic Effects [PE] - Decreased Central Nervous System Disorganized Electrical Activity
Trimethadione is an Anti-epileptic Agent. The physiologic effect of trimethadione is by means of Decreased Central Nervous System Disorganized Electrical Activity.
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.
Cellular LocationsMembrane
用途と製造
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