オキシフェンブタゾン水和物
Oxyphenbutazone monohydrate
基本情報
- CAS
7081-38-1- 標準SMILES
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O- InChIKey
CNDQSXOVEQXJOE-UHFFFAOYSA-N- 分子式
- C19H22N2O4
- 平均分子量
- 342.4 g/mol
- 単同位体質量
- 342.15795719
概要
Oxyphenbutazone hydrate is a hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has a role as an antimicrobial agent, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antineoplastic agent and a gout suppressant. It contains an oxyphenbutazone.
名称と識別子
- 優先名称
- Oxyphenbutazone monohydrate
- IUPAC
- 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate
- 現地名
- オキシフェンブタゾン水和物
- 英語名
- OXYPHENBUTAZONE HYDRATE
- 分子式
- C19H22N2O4
- 分子量
- 342.39
名称と別名
Oxyphenbutazone hydrate7081-38-1oxyphenbutazone monohydrate4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrateCHEBI:76259RefChem:1094101Oxyphenbutazone (monohydrate)4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate76576-51-7Tandearil (TN)4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate
名称をさらに表示
オキシフェンブタゾン水和物OXYPHENYL BUTAZONE MONOHYDRATEOXYPHENBUTAZONE HYDRATE USP/EP/BPOxyphenbutazone (hydrate) - Bio-X ?Oxyphenbutazone DISCONTINUED (1 g)1-(4-hydroxyphenyl)-4-(3-oxobutyl)-2-phenylpyrazolidin-3-one:hydrate
Oxyphenbutazone (hydrate) - Bio-X trade mark4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione--water (1/1)4-butyl-1-(4-hydroxyphenyl)-2-phenyl-1,2-diazolidine-3,5-dione, hydrate3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL-, HYDRATE (1:1)UNII-H806S4B3NSOxyphenbutazone [USP:INN:BAN]SCHEMBL25854OXYPHENBUTAZONE [IARC]
物性
構造計算による物性
- 極性表面積
- 61.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 454
物理化学的性質
- 融点
- 96 °; · 96°; mp 124-125°
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate: Environment tier I assessment
安全データ
- risk_code
- 22-36/38-40-42/43
- hazard_code
- Xn
- safety_code
- 22-26-36
化学と産業
応用分野
使用Antiinflammatory; antirheumatic.
補足説明
定義ChEBI: A hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.
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