Metabolite 5'-hydroxymethyl meloxicam
- Name
- 5'-hydroxymethyl meloxicam
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- H7NJ09217D
- CAS number
- Not Available
- Weight
- Average: 367.4
Monoisotopic: 367.029661921 - Chemical Formula
- C14H13N3O5S2
- InChI Key
- LOOSAJMIEADILV-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)
- IUPAC Name
- 4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboximidic acid
- SMILES
- CN1C(C(O)=NC2=NC=C(CO)S2)=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]- 184.6624473 predictedDarkChem Lite v0.1.0 [M-H]- 184.4272473 predictedDarkChem Lite v0.1.0 [M-H]- 175.45946 predictedDeepCCS 1.0 (2019) [M+H]+ 185.2261473 predictedDarkChem Lite v0.1.0 [M+H]+ 185.3229473 predictedDarkChem Lite v0.1.0 [M+H]+ 177.81747 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.0143473 predictedDarkChem Lite v0.1.0 [M+Na]+ 184.7844473 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.91063 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060780
- ChemSpider
- 21896764
- ChEBI
- 191045
- ZINC
- ZINC000095892888
- Predicted Properties
Property Value Source Water Solubility 0.132 mg/mL ALOGPS logP 0.96 ALOGPS logP 1.05 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 3.73 Chemaxon pKa (Strongest Basic) 0.3 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 3 Chemaxon Refractivity 90.92 m3·mol-1 Chemaxon Polarizability 35.44 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