4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide

• ChemBase ID: 87521
• Molecular Formular: C13H11N3O4S2
• Molecular Mass: 337.37414
• Monoisotopic Mass: 337.01909785
• SMILES: N1(C(=C(c2c(S1(=O)=O)ccs2)O)C(=O)Nc1ncccc1)C
• Canonical SMILES: O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1
• InChI: InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
• InChIKey: LZNWYQJJBLGYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6-thieno[2,3-e][1,2]thiazine-3-carboxamide; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6,5,2-thieno[2,3-e][1λ^6,2]thiazine-3-carboxamide
• IUPAC Traditional name: @tenoxicam; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6,5,2-thieno[2,3-e][1λ^6,2]thiazine-3-carboxamide; tenoxicam
• Synonyms: Tenoxicam; 4-Hydroxy-2-methyl-N-pyridin-2-yl-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-Dioxide; Alganex; Dolmen; Epicotil; Liman; Mobiflex; Oxamen-L; Rexalgan; Ro 12-0068; Soral; Tilatil; Tilcotil; Tenoxicam; Tenoxicam(Mobiflex); 4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno(2,3-e)-1,2-thiazine-3-carboxamide 1,1-dioxide; Tenoxicam

Database IDs

• CAS Number: 59804-37-4
• MDL Number: MFCD00083502
• PubChem SID: 24899922; 162074561
• PubChem CID: 54677971

CALCULATED PROPERTIES

• Acid pKa: 2.2100077
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2256131
• LogD (pH = 7.4): -1.9054034
• Log P: -0.115899466
• Molar Refractivity: 83.9334 cm^3
• Polarizability: 31.410032 Å^3
• Polar Surface Area: 99.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dimethyl Sulfoxide
• Apperance: Yellow Solid
• Melting Point: 209-213°C (dec)

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Irritant
• RTECS: XJ9095060
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25
• Safety Statements: 36/37/39-45; 4-9-20-27-36/37-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P261-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Target: Others
• Mechanism of Action: Non-selective COX inhibitor

Product Information

• Purity: 97%
• Salt Data: Free Base
• Application(s): Analgesic; Antiinflammatory agent

DETAILS

Sigma Aldrich - T0909

Biochem/physiol Actions
Non-steroidal antiinflammatory drug (NSAID) with comparatively low risk of renal or hepatic toxicity.1

Toronto Research Chemicals - T019500

Nonsteroidal anti-inflamatory agent.

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