CAS 59804-25-0 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide (HCID 54690599)

基本情報

CAS: 59804-25-0
標準SMILES: COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C
InChIKey: OKNMAOBDSCJUDO-UHFFFAOYSA-N
分子式: C9H9NO5S2
平均分子量: 275.3 g/mol
単同位体質量: 274.99221439

名称と識別子

優先名称: 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide
IUPAC: methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
現地名: 2-メチル-4-ヒドロキシ-2H-チエノ[2,3-E]-1,2-チアジン-3-カルボン酸メチル-1,1-ジオキシド
英語名: METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
分子式: C9H9NO5S2
分子量: 275.3

名称と別名

59804-25-0RefChem:4844452H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxideMETHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDEC9H9NO5S2MFCD08460400Tenoxicam Impurity Bmethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylateMethyl-2-methyl-4-hydroxy-2H-thieno[2,3-E]-1,2-thiazine-3-carboxylate-1,1-dioxideMethyl 4-hydroxy-2-methyl-1,1-dioxo-thieno[2,3-e]thiazine-3-carboxylate2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-,methyl ester, 1,1-dioxide

名称をさらに表示

2-メチル-4-ヒドロキシ-2H-チエノ[2,3-E]-1,2-チアジン-3-カルボン酸メチル-1,1-ジオキシド4-ヒドロキシ-2-メチル-2H-チエノ[2,3-E][1,2]チアジン-3-カルボン酸メチル1,1-ジオキシドTenoxicam Impurity 5Lornoxicam Impurity 27Lornoxicam Impurity 39METHYL-2-METHYL-4-HYDROXY-2H-THIENO

物性

構造計算による物性

XLogP: 0.9
極性表面積: 121 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 478

物理化学的性質

沸点: 453.5 · 453.5±55.0 °C(Predicted)
比重(密度): 1.646 · 1.646±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.5 · 4.50±1.00(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23817

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用Methyl 4-Hydroxy-2-methyl-2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid 1,1-Dioxide Ester is used in the preparation of Tenoxicam, which is a class of oxicams with anti-inflammatory and analgesic properties.