Metabolite Azilsartan M-I metabolite
- Name
- Azilsartan M-I metabolite
- Description
- Not Available
- Structure
Structure for Azilsartan M-I metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 414.465
Monoisotopic: 414.169190584 - Chemical Formula
- C24H22N4O3
- InChI Key
- GLEVNSRDOQPXLD-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H22N4O3/c1-2-31-24-27-20-9-5-8-19(23(29)30)21(20)28(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22(25)26/h3-13H,2,14H2,1H3,(H3,25,26)(H,29,30)
- IUPAC Name
- 1-({2'-carbamimidoyl-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylic acid
- SMILES
- CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(N)=N
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.25755 predictedDeepCCS 1.0 (2019) [M+H]+ 188.61555 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.03908 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 48059456
- Predicted Properties
Property Value Source Water Solubility 0.0197 mg/mL ALOGPS logP 3.5 ALOGPS logP 2.67 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.51 Chemaxon pKa (Strongest Basic) 11.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 114.22 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 129.23 m3·mol-1 Chemaxon Polarizability 44.21 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon