| CAS Number | 1227626-45-0 |
| Catalog Number | AG009FPS(AGN-PC-0WAEQQ) |
| Chemical Name | Olmesartan Methyl Ketone |
| IUPAC Name | 1-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]ethanone |
| InChI | InChI=1S/C25H28N6O2/c1-5-8-21-26-23(25(3,4)33)22(16(2)32)31(21)15-17-11-13-18(14-12-17)19-9-6-7-10-20(19)24-27-29-30-28-24/h6-7,9-14,33H,5,8,15H2,1-4H3,(H,27,28,29,30) |
| InChI Key | HXBOGIAKDFTLIE-UHFFFAOYSA-N |
| MDL Number | MFCD28358864 |
| Molecular Formula | C25H28N6O2 |
| Molecular Weight | 444.5288 |
| SMILES | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)C)C(O)(C)C |
| Synonyms | Olmesartan Methyl Ketone,
1227626-45-0,
SCHEMBL20257334,
DTXSID90858254,
ZINC65748293,
1-[4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-5-yl]ethanone,
1-[4-(2-Hydroxypropan-2-yl)-2-propyl-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl]ethan-1-one,
|
| Complexity | 653 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.539g/mol |
| Monoisotopic Mass | 444.227g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number