HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tenoxicam
Tenoxicam CRS · Lornoxicam Impurity 44 · Soral · Liman · Do1men · Dolmen · Alganex · Tilatil
Identifiers & Physical Properties
| CAS No. | 59804-37-4 |
|---|---|
| Molecular formula | C13H11N3O4S2 |
| Average molar mass | 337.4 g/mol |
| Monoisotopic mass | 337.01909783 g/mol |
| SMILES | CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O |
| InChIKey | LZNWYQJJBLGYLT-UHFFFAOYSA-N |
| PubChem CID | 54677971 |
| ChEMBL | CHEMBL302795 |
| ChEBI | CHEBI:32192 |
| EC No. | 620-500-8 |
| DTXSID | DTXSID8045486 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 136 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 599 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| LogP (partition coefficient) | 1.9 |
| Human Drugs | Pharmaceuticals |
| Collision Cross Section | 169.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]170.4 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]175.02 Ų [M+K]+ [CCS Type: TW |
| Melting point | 209-2130C (dec) |
| Density | 1.4737 (rough estimate) |
| Refractive index | 1.6390 (estimate) |
| Storage conditions | 2-8°C |
| Solubility | Practically insoluble in water, sparingly soluble in methylene chloride, very slightly soluble in anhydrous ethanol. It dissolves in solutions of acids and alkalis.61.9mg/L(32 ºC) |
| pKa (acidity coefficient) | pKa1 5.3, pKa2 1.1(at 25℃) |
| Physical state | Solid |
| Color | White to Yellow to Green |
| Major applications | pharmaceuticalpharmaceutical small molecule |
| 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) |
| InChIKey | LZNWYQJJBLGYLT-UHFFFAOYSA-N |
| SMILES | S1(=O)(=O)C2C=CSC=2C(O)=C(C(NC2=NC=CC=C2)=O)N1C |
| CAS DataBase Reference | 59804-37-4 |
| EWG's Food Scores | 1 |
| FDA UNII | Z1R9N0A399 |
| ATC code | M01AC02 |
| UNSPSC Code | 41116107 |
| NACRES | NA.77 |
| Protein binding | 99% |
| Excreted unchanged in urine | <1 (67% as metabolites and unchanged drug) |
| Volume of distribution | 10-12 Litres |
| Biological half-life | 72 / - |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301+H311+H331 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352+P312-P304+P340+P311 |
| Hazard symbols | T,Xi |
| Risk statements (R) | 23/24/25-36/37/38 |
| Safety statements (S) | 36/37/39-45-36-26-36/37 |
| UN transport number | UN 2811 6.1/PG 3 |
| Water hazard class (WGK) | 2 |
| RTECS number | XJ9095060 |
| Customs code | 2934.99.3000 |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.8%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)TENOXICAMDILI PositiveOralDOI:10.1016/j.drudis.2019.09.022 |
| Water hazard class (WGK) | 2 |
| RTECS number | XJ9095060 |
| UN transport number | UN 2811 6.1/PG 3 |
| Customs code | 2934.99.3000 |
| Risk statements (R) | 23/24/25-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T,Xi |
| Safety statements (S) | 36/37/39-45-36-26-36/37 |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| GHS hazard statements | H301+H311+H331 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352+P312-P304+P340+P311 |
Applications & Uses
Description
Tenoxicam is a non-steroidal antiinflammatory agent with a profile similar to related piroxicam and now withdrawn isoxicam (55). It is useful in the treatment of rheumatoid arthritis, osteoarthritis and related disorders.
Uses
Tenoxicam has been used: as a non-steroidal anti-inflammatory agent (NSAID) to study its effects on root gravitropism in Arabidopsis thaliana as a standard in microanalysis of NSAIDs by spectrophotometry to test its effect on surface potential andmembrane fluidity modification in phosphoglyceride monolayers