2H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide

HCID 54690599

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Grundinformationen

CAS: 59804-25-0
Standard-SMILES: COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C
InChIKey: OKNMAOBDSCJUDO-UHFFFAOYSA-N
Summenformel: C9H9NO5S2
Durchschnittliche Molmasse: 275,3 g/mol
Monoisotopische Masse: 274,99221439

Namen und Bezeichner

Bevorzugter Name: 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
Englischer Name: METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
Summenformel: C9H9NO5S2
Molmasse: 275.3

Namen und Synonyme

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

Weitere Namen anzeigen

Tenoxicam Impurity 5Lornoxicam Impurity 27Lornoxicam Impurity 39METHYL-2-METHYL-4-HYDROXY-2H-THIENOMethyl 4-Hydroxy-2-methyl-2H-thienoMethyl 2-Methyl-4-Hydroxy-2H-Thieno[2,3-e]-1,2-Thiazine-3-Ca...2-methyl-4-hydroxy-2H-thieno[2,3-E]-1,2-thiazine-3-carboxylate-1,1-dioxide

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1lambda6-thieno[2,3-e][1,2]thiazine-3-carboxylateTenoxicam EP Impurity BMethyl 4-Hydroxy-2-methyl-2H-thieno[2,3-e]1,2-thiazine-3-carboxylate 1,1-DioxideMethyl 4-Hydroxy-2-methyl-2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid 1,1-Dioxide EsterMethyl 4-Hydroxy-2-methyl-2H-thieno[2,3-e]1,2-thiazine-3-carboxylate 1,1-Dioxide; Tenoxicam Imp. B (EP); Tenoxicam Impurity BLornoxicam Impurity 19METHYL 2-METHYL-4-HYDROXY-2H-THICN0[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDEorb864234

Datenbank-Bezeichner

CAS: 59804-25-0
PubChem CID: 54690599
DTXSID: DTXSID70975211
EC Number: 611-894-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 121 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 478

Physikochemische Eigenschaften

Siedepunkt: 453.5 · 453.5±55.0 °C(Predicted)
Dichte: 1.646 · 1.646±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.5 · 4.50±1.00(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

VerwendenMethyl 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.