Tenoxicam - ≥98% , CAS No.59804-37-4

CAS: 59804-37-4 Cat. No.: T129254 Summenformel: C₁₃H₁₁N₃O₄S₂ Molekulargewicht: 337.37 EG-Nummer: 620-500-8 PubChem CID: 54677971

GRADE & PURITY ≥98%

Synonyms

HMS3370L01 | NCGC00016889-02 | Prestwick3_000527 | Ro 12-0068/000 | (3Z)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one | HMS3713J15 | Mobiflex | Tenoxicam degradation impurity standard | NCGC00016889-03 | 4-hydrox

Storage

Room temperature

Shipped In

Normal

Übersicht

Tenoxicam is a good HO. radicals scavenger with an IC50 of 56.7 μM.
A nonsteroidal, anti-inflammatory, analgesic agent.

Specifications

Synonyme

HMS3370L01 | NCGC00016889-02 | Prestwick3_000527 | Ro 12-0068/000 | (3Z)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one | HMS3713J15 | Mobiflex | Tenoxicam degradation impurity standard | NCGC00016889-03 | 4-hydrox

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Tenoxicam is a nonsteroidal anti-inflammmatory(NSAID), analgesic agent. Displays antitumor effects

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488201688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201688
• Kanonisches Lächeln: CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3
• IUPAC Name: 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
• InChIKey: LZNWYQJJBLGYLT-UHFFFAOYSA-N
• 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)
• Isomere SMILES: CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3
• WGK Deutschland: 2
• RTECS: XJ9095060
• PubChem CID: 54677971
• Molekulargewicht: 337.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thienothiazines N-arylamides Pyridines and derivatives Organosulfonamides Imidolactams 1,2-thiazines Vinylogous acids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thienothiazine - N-arylamide - Ortho-thiazine - Pyridine - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous acid - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: monocarboxylic acid amide - pyridines - heteroaryl hydroxy compound - thienothiazine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO.
• Schmelzpunkt (°C): 213 °C(dec.)
• Molekulargewicht: 337.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 337.019 Da
• Monoisotopic Mass: 337.019 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1