Metabolite Pioglitazone metabolite M-VI
- Name
- Pioglitazone metabolite M-VI
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Y3ETW7RPG7
- CAS number
- Not Available
- Weight
- Average: 372.395
Monoisotopic: 372.077992322 - Chemical Formula
- C18H16N2O5S
- InChI Key
- SLOBZACXYXBLIT-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H16N2O5S/c21-16-15(26-18(24)20-16)9-11-1-5-14(6-2-11)25-8-7-13-4-3-12(10-19-13)17(22)23/h1-6,10,15H,7-9H2,(H,22,23)(H,20,21,24)
- IUPAC Name
- 6-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)pyridine-3-carboxylic acid
- SMILES
- OC(=O)C1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
- Reactions
- Pioglitazone Pioglitazone metabolite M-VI
- Pioglitazone Pioglitazone metabolite M-V
- Pioglitazone metabolite M-V Pioglitazone metabolite M-VI
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.450738 predictedDarkChem Lite v0.1.0 [M-H]- 182.8152 predictedDeepCCS 1.0 (2019) [M+H]+ 186.048038 predictedDarkChem Lite v0.1.0 [M+H]+ 185.31654 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.793838 predictedDarkChem Lite v0.1.0 [M+Na]+ 193.52243 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 21896652
- Predicted Properties
Property Value Source Water Solubility 0.0218 mg/mL ALOGPS logP 2.09 ALOGPS logP 0.94 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 1.95 Chemaxon pKa (Strongest Basic) 5.27 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.59 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 95 m3·mol-1 Chemaxon Polarizability 37.4 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 Yes Chemaxon