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Piroxicam
CAS: 36322-90-4 | C15H13N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36322-90-4
Molecular Formula:
C15H13N3O4S
Molecular Mass:
331.35 g/mol
Names and Synonyms:
Piroxicam
2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
Piroxicam
Pyroxycam
Baxo
Feldene
Piroftal
CHF 1251
Roxicam
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
NSC 666076
Sasulen
Doblexan
Improntal
Piroflex
Bruxicam
Erazon
Flogobene
Geldene
Reudene
Artroxicam
Roxiden
Solocalm
Riacen
Larapam
Zunden
Caliment
Pirkam
CP 16171
Felden gel
Feldene Zydis
Dolibid
Feldene Melt
Felvin 20
Pixicam
Feloxin
Nkoyo piroxicam
Felxicam
Neoxicam
Uphaxicam
Maxvin
Laxidene
Rheugesic
Piroxidine
Dispercam
Murupe
Feledene
Feldoral
Piroxitas-DT
Nesprex-DT
Flogosan
Inflacin
Identifiers:
SMILES:
CN1C(C(O)=Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
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)
Key Properties
Melting Point
198-200 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.35 g/mol | CAS Common Chemistry |
| 331.35300000000007 g/mol | RDKit | |
| 331.06267689599997 g/mol | RDKit | |
| 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 | RDKit |
