| CAS Number | 172875-59-1 |
| Catalog Number | AG00ADG7(AGN-PC-0WBNIV) |
| Chemical Name | N-Trityl Olmesartan Ethyl Ester |
| IUPAC Name | ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate |
| InChI | InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-49-51(48-42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3 |
| InChI Key | PKLGOYACZYXKDL-UHFFFAOYSA-N |
| MDL Number | MFCD09841401 |
| Molecular Formula | C45H44N6O3 |
| Molecular Weight | 716.8693 |
| SMILES | CCCc1nc(c(C(=O)OCC)n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(c5ccccc5)(c6ccccc6)c7ccccc7)C(C)(C)O |
| Synonyms | N-Trityl Olmesartan Ethyl Ester,
172875-59-1,
SCHEMBL991961,
4-(2-Hydroxypropane-2-yl)-2-propyl-1-[[2'-(2-trityl-2H-tetrazole-5-yl)biphenyl-4-yl]methyl]-1H-imidazole-5-carboxylic acid ethyl ester,
PKLGOYACZYXKDL-UHFFFAOYSA-N,
CID10723550,
CID 10723550,
|
| Complexity | 1110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 716.347g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 54 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 716.886g/mol |
| Monoisotopic Mass | 716.347g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number