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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 Weight:
331.35300000000007 g/mol
Names and Synonyms:
Piroxicam
Inflacin
Flogosan
Nesprex-DT
Piroxitas-DT
Feldoral
Feledene
Murupe
Dispercam
Piroxidine
Rheugesic
Laxidene
Maxvin
Uphaxicam
Neoxicam
Felxicam
Nkoyo piroxicam
Feloxin
Pixicam
Felvin 20
Feldene Melt
Dolibid
Feldene Zydis
Felden gel
CP 16171
Pirkam
Caliment
Zunden
Larapam
Riacen
Solocalm
Roxiden
Artroxicam
Reudene
Geldene
Flogobene
Erazon
Bruxicam
Piroflex
Improntal
Doblexan
Sasulen
NSC 666076
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Roxicam
CHF 1251
Piroftal
Feldene
Baxo
Pyroxycam
Piroxicam
2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
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)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 331.35 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1=NC=CC=C1)C2=C(O)C=3C=CC=CC3S(=O)(=O)N2C | Legacy Database | |
| cas-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) | Legacy Database | |
| cas-inchi-key | InChIKey=QYSPLQLAKJAUJT-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 198-200 °C | Legacy Database | |
| cas-name | Piroxicam | Legacy Database | |
| LogP | 2.2305 | RDKit | |
| Molecular | Molecular Weight | 331.35300000000007 g/mol | RDKit |
| Exact | Exact Molecular Weight | 331.06267689599997 g/mol | RDKit |
| Heavy | Heavy Atom Count | 23 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 103.09 Ų | RDKit |
| Molar | Molar Refractivity | 84.90040000000005 | RDKit |
