Metabolite 5'-Hydroxytenoxicam
- Name
- 5'-Hydroxytenoxicam
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 353.374
Monoisotopic: 353.014011857 - Chemical Formula
- C13H11N3O5S2
- InChI Key
- INPPRTDYEGRTIU-RAXLEYEMSA-N
- InChI
- InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17,19H,1H3,(H,14,15)/b13-10-
- IUPAC Name
- (3Z)-3-{hydroxy[(5-hydroxypyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-e][1,2]thiazine-1,1,4-trione
- SMILES
- CN1\C(=C(/O)NC2=NC=C(O)C=C2)C(=O)C2=C(C=CS2)S1(=O)=O
- Reactions
- Tenoxicam 5'-Hydroxytenoxicam
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 184.4795532 predictedDarkChem Lite v0.1.0 [M-H]- 173.77461 predictedDeepCCS 1.0 (2019) [M+H]+ 184.8001532 predictedDarkChem Lite v0.1.0 [M+H]+ 176.1326 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.1770532 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.39725 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014098
- ChemSpider
- 30776733
- ZINC
- ZINC000005140766
- Predicted Properties
Property Value Source Water Solubility 0.421 mg/mL ALOGPS logP 1.32 ALOGPS logP 0.92 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 7.44 Chemaxon pKa (Strongest Basic) 4.75 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.83 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 95.04 m3·mol-1 Chemaxon Polarizability 31.93 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon