| CAS Number | 1442400-68-1 |
| Catalog Number | AG00ADSB(AGN-PC-0WH4BP) |
| Chemical Name | O-Desethyl Azilsartan |
| IUPAC Name | 2-oxo-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylic acid |
| 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) |
| InChI Key | LLINNBQUGIKCPM-UHFFFAOYSA-N |
| MDL Number | MFCD27996072 |
| Molecular Formula | C23H16N4O5 |
| Molecular Weight | 428.3969 |
| SMILES | O=C1N(CC2=CC=C(C3=CC=CC=C3C4=NOC(N4)=O)C=C2)C5=C(C(O)=O)C=CC=C5N1 |
| Synonyms | O-Desethyl Azilsartan,
1442400-68-1,
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-benzo[d]imidazole-4-carboxylic acid,
SCHEMBL18088504,
AKOS032945212,
AC-30431,
3-[[2'-(5-Oxo-4,5-dihydro-1,2,4-oxadiazole-3-yl)-4-biphenylyl]methyl]-2-oxo-2,3-dihydro-1H-benzoimidazole-4-carboxylic acid,
|
| Complexity | 793 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.404g/mol |
| Monoisotopic Mass | 428.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number