Metabolite 5'-Hydroxypiroxicam
- Name
- 5'-Hydroxypiroxicam
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- XBG963W8BL
- CAS number
- Not Available
- Weight
- Average: 347.346
Monoisotopic: 347.057591231 - Chemical Formula
- C15H13N3O5S
- InChI Key
- CCKOORANQAQKKV-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21)
- IUPAC Name
- 4-hydroxy-N-(5-hydroxypyridin-2-yl)-2-methyl-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboximidic acid
- SMILES
- CN1C(C(O)=NC2=NC=C(O)C=C2)=C(O)C2=CC=CC=C2S1(=O)=O
- Reactions
- Piroxicam 5'-Hydroxypiroxicam
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.6534184 predictedDarkChem Lite v0.1.0 [M-H]- 179.3561184 predictedDarkChem Lite v0.1.0 [M-H]- 172.7678 predictedDeepCCS 1.0 (2019) [M+H]+ 181.2044184 predictedDarkChem Lite v0.1.0 [M+H]+ 180.1925184 predictedDarkChem Lite v0.1.0 [M+H]+ 175.12584 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.9406184 predictedDarkChem Lite v0.1.0 [M+Na]+ 178.9969184 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.87177 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014096
- ChemSpider
- 20129664
- ChEBI
- 175413
- ChEMBL
- CHEMBL1217
- ZINC
- ZINC000005140767
- Predicted Properties
Property Value Source Water Solubility 0.252 mg/mL ALOGPS logP 1.71 ALOGPS logP 0.87 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 2.74 Chemaxon pKa (Strongest Basic) 4.43 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 123.32 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.78 m3·mol-1 Chemaxon Polarizability 33.48 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