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Molecule
Tenoxicam
CAS: 59804-37-4 · C13H11N3O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59804-37-4
- Molecular Formula
- C13H11N3O4S2
- Molecular Mass
- 337.38 g/mol
Identifiers
CAS Registry Number
59804-37-4
SMILES
CN1C(C(O)=Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
InChI Key
LZNWYQJJBLGYLT-UHFFFAOYSA-N
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)
Names and Synonyms
- Tenoxicam Synonym
- 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide Synonym
- Ro 12-0068 Synonym
- Tenoxicam Synonym
- Tilcotil Synonym
- Liman Synonym
- Mobiflex Synonym
- Tilatil Synonym
- Dolmen Synonym
- Alganex Synonym
- Rexalgan Synonym
- Oxamen-L Synonym
- Epicotil Synonym
- Soral Synonym
- Texamen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.38 g/mol | CAS Common Chemistry |
| 337.38200000000006 g/mol | RDKit | |
| 337.382 g/mol | RDKit | |
| 339.261 g/mol | chempirical lib | |
| Density | 1.59 g/cm³ | CAS Common Chemistry |
| 1.59 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(NC1=NC=CC=C1)C2=C(O)C=3SC=CC3S(=O)(=O)N2C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=LZNWYQJJBLGYLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211 °C (decomp) | CAS Common Chemistry |
| Name | Tenoxicam | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 103.09 Ų | RDKit |
| LogP | 2.2920000000000007 | RDKit |
| 2.292 | RDKit | |
| Molar Refractivity | 82.77740000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| Exact Mass | 337.019097832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 337.38 g/mol; density = 1.590 g/mL. Edit any field — others recompute live.
