CAS 24683-26-9 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide (HCID 54679348)

名称と識別子

優先名称: 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide
IUPAC: ethyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
現地名: (4-ヒドロキシ-2-メチル-2H-1,2-ベンゾチアジン-3-カルボン酸エチル)1,1-ジオキシド
英語名: Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
分子式: C12H13NO5S
分子量: 283.3

名称と別名

24683-26-9Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideEINECS 246-403-7EAD64Z1YS14-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxideDTXSID30179415EC 246-403-7MELOXICAM IMPURITY A [EP IMPURITY]PIROXICAM IMPURITY K [EP IMPURITY]4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic Acid Ethyl Ester 1,1-DioxideMELOXICAM IMPURITY A (EP IMPURITY)

名称をさらに表示

(4-ヒドロキシ-2-メチル-2H-1,2-ベンゾチアジン-3-カルボン酸エチル)1,1-ジオキシド4-ヒドロキシ-2-メチル-2H-1,2-ベンゾチアジン-3-カルボン酸エチル1,1-ジオキシド(PIROXICAM IMPURITY K)ピルオキシカム不純物K4-ヒドロキシ-2-メチル-1,1-ジオキソ-2H-1,2-ベンゾチアジン-3-カルボン酸エチル3-(エトキシカルボニル)-4-ヒドロキシ-2-メチル-1,2-ジヒドロ-1,2-ベンゾチアジン-1,1-ジイウム-1,1-ビス(オラート)2-METHYL-4-HYDROXY-2H-1,2-BENZOTHIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID ETHYL ESTEREcMetAP1-IN-1Piroxicam Impurity K2-Methyl-4-hydroxy-2H-1Meloxicam USP Related Compound AEthyl 4-Hydroxy-2-methyl-2H-1,2-benMeloxicaM IMpurity A(EP) (USP RC A)Meloxicam usp RC A/Meloxicam EP IMP A2-benzothiazine-3-carboxylic acid ethyl ester-1Piroxicam EP Impurity K(Meloxicam EP Impurity A)

PIROXICAM IMPURITY K (EP IMPURITY)RefChem:523747DTXCID60101906Ethyl 4-hydroxy-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxideMFCD00190168ethyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester-1,1-dioxide

データベース識別子

CAS: 24683-26-9
PubChem CID: 54679348
DTXSID: DTXSID30179415
ChEMBL: CHEMBL598364
UNII: EAD64Z1YS1
EC Number: 246-403-7

物性

構造計算による物性

XLogP: 3.2
極性表面積: 92.3 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 505

物理化学的性質

融点: 140 · 140-144 °C (lit.)
沸点: 448.1 · 448.1±55.0 °C(Predicted)
比重(密度): 1.458 · 1.458±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
外見: solid
酸解離定数(Pka): 4.5 · 4.50±1.00(Predicted)
InChI: 1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3
InChIKey: QWTNANUGXZEPFQ-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
CAS データベース: 24683 · 24683-26-9(CAS DataBase Reference)

化学的性質

化学的特性White to Off-White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H331 (89.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P271, P304+P340, P316, P321, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 01-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18782；Status: Active Update: 09-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6294

Hazard Classes and CategoriesAcute Tox. 3 (89.4%)

法規制情報

Regulatory InformationStatus: Active Update: 01-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18782；Status: Active Update: 09-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6294

安全データ

wgk: 2
rtecs: DL0710425
ridadr: UN 2811 6.1/PG 2
hs_code: 2934990002
risk_code: 23
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Inhalation
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials