Metabolite Azilsartan M-II metabolite
- Name
- Azilsartan M-II metabolite
- Description
- Not Available
- Structure
Structure for Azilsartan M-II metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 428.404
Monoisotopic: 428.112069631 - Chemical Formula
- C23H16N4O5
- InChI Key
- LLINNBQUGIKCPM-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H16N4O5/c28-21(29)17-6-3-7-18-19(17)27(22(30)24-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-25-23(31)32-26-20/h1-11H,12H2,(H,24,30)(H,28,29)(H,25,26,31)
- IUPAC Name
- 2-oxo-3-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid
- SMILES
- OC(=O)C1=C2N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NC(=O)ON3)C(=O)NC2=CC=C1
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 200.70604 predictedDeepCCS 1.0 (2019) [M+H]+ 203.06404 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.20757 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 30772669
- Predicted Properties
Property Value Source Water Solubility 0.0232 mg/mL ALOGPS logP 3.01 ALOGPS logP 3.58 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.34 Chemaxon pKa (Strongest Basic) -4.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 120.33 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 126.36 m3·mol-1 Chemaxon Polarizability 41.75 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon