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Molecule
Piroxicam
CAS: 36322-90-4 · C15H13N3O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36322-90-4
- Molecular Formula
- C15H13N3O4S
- Molecular Mass
- 331.35 g/mol
Identifiers
CAS Registry Number
36322-90-4
SMILES
CN1C(C(O)=Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
InChI Key
QYSPLQLAKJAUJT-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
Names and Synonyms
- Piroxicam Common Name
- 2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide Synonym
- Piroxicam Synonym
- Pyroxycam Synonym
- Baxo Synonym
- Feldene Synonym
- Piroftal Synonym
- CHF 1251 Synonym
- Roxicam Synonym
- 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide Synonym
- NSC 666076 Synonym
- Sasulen Synonym
- Doblexan Synonym
- Improntal Synonym
- Piroflex Synonym
- Bruxicam Synonym
- Erazon Synonym
- Flogobene Synonym
- Geldene Synonym
- Reudene Synonym
- Artroxicam Synonym
- Roxiden Synonym
- Solocalm Synonym
- Riacen Synonym
- Larapam Synonym
- Zunden Synonym
- Caliment Synonym
- Pirkam Synonym
- CP 16171 Synonym
- Felden gel Synonym
- Feldene Zydis Synonym
- Dolibid Synonym
- Feldene Melt Synonym
- Felvin 20 Synonym
- Pixicam Synonym
- Feloxin Synonym
- Nkoyo piroxicam Synonym
- Felxicam Synonym
- Neoxicam Synonym
- Uphaxicam Synonym
- Maxvin Synonym
- Laxidene Synonym
- Rheugesic Synonym
- Piroxidine Synonym
- Dispercam Synonym
- Murupe Synonym
- Feledene Synonym
- Feldoral Synonym
- Piroxitas-DT Synonym
- Nesprex-DT Synonym
- Flogosan Synonym
- Inflacin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.35 g/mol | CAS Common Chemistry |
| 331.35300000000007 g/mol | RDKit | |
| 331.353 g/mol | RDKit | |
| 331.346 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=NC=CC=C1)C2=C(O)C=3C=CC=CC3S(=O)(=O)N2C | CAS Common Chemistry |
| InChI | InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) | CAS Common Chemistry |
| InChI Key | InChIKey=QYSPLQLAKJAUJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-200 °C | CAS Common Chemistry |
| Name | Piroxicam | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 103.09 Ų | RDKit |
| LogP | 2.2305 | RDKit |
| Molar Refractivity | 84.90040000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 331.06267689599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
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 = 331.35 g/mol. Edit any field — others recompute live.
