Tenoxicam (CHEM018350)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-22 05:10:47 UTC
Update Date2016-11-09 01:15:47 UTC
Accession NumberCHEM018350
Identification
Common NameTenoxicam
ClassSmall Molecule
DescriptionTenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.
Contaminant Sources
  • HMDB Contaminants - Urine
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
MobiflexChEBI
TenoxicamumChEBI
TilcotilChEBI
4-Hydroxy-2-methyl-N-2-pyridyl-2H-thieno(2,3-e)-1,2-thiazine-3-carboxamide 1,1-dioxideMeSH
TenoxicamMeSH
ArtriunicMeSH
apo-TenoxicamMeSH
ReutenoxMeSH
novo-TenoxicamMeSH
Chemical FormulaC13H11N3O4S2
Average Molecular Mass337.370 g/mol
Monoisotopic Mass337.019 g/mol
CAS Registry Number59804-37-4
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶-thieno[2,3-e][1,2]thiazine-3-carboxamide
Traditional Nametenoxicam
SMILESCN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O
InChI IdentifierInChI=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)
InChI KeyLZNWYQJJBLGYLT-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Thienothiazine
  • N-arylamide
  • Ortho-thiazine
  • Pyridine
  • Imidolactam
  • Organosulfonic acid amide
  • Heteroaromatic compound
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Vinylogous acid
  • Thiophene
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.26 g/LALOGPS
logP2.42ALOGPS
logP-0.12ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)2.21ChemAxon
pKa (Strongest Basic)4.26ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.6 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity83.93 m³·mol⁻¹ChemAxon
Polarizability31.96 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-qTof , Positivesplash10-00di-4920000000-4540501176aeb1563469Spectrum
LC-MS/MSLC-MS/MS Spectrum - , positivesplash10-00di-4920000000-4540501176aeb1563469Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-1109000000-4e49ea87c4da7f125434Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-022a-5901000000-221f5db96a0a4740df54Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9710000000-0ea85b746c1d6efc9716Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-2019000000-ff016e456f3a43874f57Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-2901000000-85940eb98baa2df9464bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0592-6900000000-9f826c9f9ef2fcb12ab1Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB00469
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTenoxicam
Chemspider IDNot Available
ChEBI ID32192
PubChem Compound ID54677971
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21129461
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21327813
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=21682312
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=21712619
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=21777594
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=21929527
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=21981557
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=22095696
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=22182582
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=22306394
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=22675955
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=22841852
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=22876956
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=23204620
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=23273940
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=23340327
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=23480456
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=23656309
19. https://www.ncbi.nlm.nih.gov/pubmed/?term=23932198
20. https://www.ncbi.nlm.nih.gov/pubmed/?term=24037655
21. https://www.ncbi.nlm.nih.gov/pubmed/?term=24093711
22. https://www.ncbi.nlm.nih.gov/pubmed/?term=28166217