Metabolite Azilsartan
- Name
- Azilsartan
- Description
- Not Available
- Structure
Structure for Azilsartan
- Synonyms
- Not Available
- UNII
- F9NUX55P23
- CAS number
- Not Available
- Weight
- Average: 456.458
Monoisotopic: 456.14336976 - Chemical Formula
- C25H20N4O5
- InChI Key
- KGSXMPPBFPAXLY-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
- IUPAC Name
- 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid
- SMILES
- CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NC(=O)ON1
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 229.7500714 predictedDarkChem Lite v0.1.0 [M-H]- 192.9026 predictedDeepCCS 1.0 (2019) [M+H]+ 230.8592714 predictedDarkChem Lite v0.1.0 [M+H]+ 195.29816 predictedDeepCCS 1.0 (2019) [M+Na]+ 230.9616714 predictedDarkChem Lite v0.1.0 [M+Na]+ 201.21068 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 8001032
- BindingDB
- 50055441
- ChEBI
- 68850
- ChEMBL
- CHEMBL57242
- ZINC
- ZINC000000598390
- Wikipedia
- Azilsartan
- Predicted Properties
Property Value Source Water Solubility 0.0123 mg/mL ALOGPS logP 4.54 ALOGPS logP 4.75 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 3.51 Chemaxon pKa (Strongest Basic) 1.5 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 115.04 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 133.8 m3·mol-1 Chemaxon Polarizability 46.36 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon