Metabolite 5'-carboxy meloxicam
- Name
- 5'-carboxy meloxicam
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- K6A5OL7FWW
- CAS number
- Not Available
- Weight
- Average: 381.384
Monoisotopic: 381.008926479 - Chemical Formula
- C14H11N3O6S2
- InChI Key
- MTQQFYLGAZXHTB-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H11N3O6S2/c1-17-10(12(19)16-14-15-6-8(24-14)13(20)21)11(18)7-4-2-3-5-9(7)25(17,22)23/h2-6,18H,1H3,(H,20,21)(H,15,16,19)
- IUPAC Name
- 2-{[hydroxy(4-hydroxy-2-methyl-1,1-dioxo-2H-1lambda6,2-benzothiazin-3-yl)methylidene]amino}-1,3-thiazole-5-carboxylic acid
- SMILES
- CN1C(C(O)=NC2=NC=C(S2)C(O)=O)=C(O)C2=CC=CC=C2S1(=O)=O
- Reactions
- Meloxicam 5'-hydroxymethyl meloxicam
- 5'-hydroxymethyl meloxicam 5'-carboxy meloxicam
- Meloxicam 5'-hydroxymethyl meloxicam
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 188.4765799 predictedDarkChem Lite v0.1.0 [M-H]- 188.4996799 predictedDarkChem Lite v0.1.0 [M-H]- 174.89331 predictedDeepCCS 1.0 (2019) [M+H]+ 190.3352799 predictedDarkChem Lite v0.1.0 [M+H]+ 189.6969799 predictedDarkChem Lite v0.1.0 [M+H]+ 177.25133 predictedDeepCCS 1.0 (2019) [M+Na]+ 189.5763799 predictedDarkChem Lite v0.1.0 [M+Na]+ 189.5328799 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.92824 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060779
- ChemSpider
- 21896619
- ChEBI
- 169676
- ZINC
- ZINC000022054044
- Predicted Properties
Property Value Source Water Solubility 0.127 mg/mL ALOGPS logP 0.89 ALOGPS logP 1.47 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.38 Chemaxon pKa (Strongest Basic) -0.13 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 140.39 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 91.36 m3·mol-1 Chemaxon Polarizability 35.59 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