Metabolite Pioglitazone metabolite M-V
- Name
- Pioglitazone metabolite M-V
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- RK29UX2P6A
- CAS number
- Not Available
- Weight
- Average: 386.422
Monoisotopic: 386.093642386 - Chemical Formula
- C19H18N2O5S
- InChI Key
- OIQJTMMAMWFMQR-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H18N2O5S/c22-17(23)10-13-1-4-14(20-11-13)7-8-26-15-5-2-12(3-6-15)9-16-18(24)21-19(25)27-16/h1-6,11,16H,7-10H2,(H,22,23)(H,21,24,25)
- IUPAC Name
- 2-[6-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)pyridin-3-yl]acetic acid
- SMILES
- OC(=O)CC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
- Reactions
- Pioglitazone Pioglitazone metabolite M-V
- Pioglitazone metabolite M-V Pioglitazone metabolite M-VI
- Pioglitazone Pioglitazone metabolite M-V
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 199.566981 predictedDarkChem Lite v0.1.0 [M-H]- 187.12979 predictedDeepCCS 1.0 (2019) [M+H]+ 198.913081 predictedDarkChem Lite v0.1.0 [M+H]+ 189.60263 predictedDeepCCS 1.0 (2019) [M+Na]+ 198.054981 predictedDarkChem Lite v0.1.0 [M+Na]+ 197.3658 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 8244261
- ChEMBL
- CHEMBL357393
- Predicted Properties
Property Value Source Water Solubility 0.0206 mg/mL ALOGPS logP 2.16 ALOGPS logP 0.96 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.61 Chemaxon pKa (Strongest Basic) 5.09 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 8 Chemaxon Refractivity 99.06 m3·mol-1 Chemaxon Polarizability 39.22 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