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Molecule
Lornoxicam
CAS: 70374-39-9 · C13H10ClN3O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70374-39-9
- Molecular Formula
- C13H10ClN3O4S2
- Molecular Mass
- 371.83 g/mol
Identifiers
CAS Registry Number
70374-39-9
SMILES
CN1C(C(O)=Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChI Key
WLHQHAUOOXYABV-UHFFFAOYSA-N
InChI
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
Names and Synonyms
- Lornoxicam Common Name
- 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide, 6-chloro-4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide Synonym
- Lornoxicam Synonym
- Chlortenoxicam Synonym
- Ro 13-9297 Synonym
- TS 110 Synonym
- Telos Synonym
- Xefo Synonym
- Xefocam Synonym
- Lorcam Synonym
- Lofecam Synonym
- Fulactive Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 371.83 g/mol | CAS Common Chemistry |
| 371.82700000000006 g/mol | RDKit | |
| 371.827 g/mol | RDKit | |
| 373.703 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=NC=CC=C1)C2=C(O)C=3SC(Cl)=CC3S(=O)(=O)N2C | CAS Common Chemistry |
| InChI | InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19) | CAS Common Chemistry |
| InChI Key | InChIKey=WLHQHAUOOXYABV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-230 °C (decomp) | CAS Common Chemistry |
| Name | Lornoxicam | CAS Common Chemistry |
| Heavy Atom Count | 23 | 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 | 2.945400000000001 | RDKit |
| 2.9454 | RDKit | |
| Molar Refractivity | 87.78740000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| Exact Mass | 370.9801254799999 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
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 371.83 g/mol. Edit any field — others recompute live.
