| CAS Number | 761404-85-7 |
| Catalog Number | AG00G2D3(AGN-PC-0U92KA) |
| Chemical Name | Trityl olMesartan acid |
| IUPAC Name | 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid |
| InChI | InChI=1S/C43H40N6O3/c1-4-16-37-44-39(42(2,3)52)38(41(50)51)48(37)29-30-25-27-31(28-26-30)35-23-14-15-24-36(35)40-45-46-47-49(40)43(32-17-8-5-9-18-32,33-19-10-6-11-20-33)34-21-12-7-13-22-34/h5-15,17-28,52H,4,16,29H2,1-3H3,(H,50,51) |
| InChI Key | WBRMIXBFMUWHHX-UHFFFAOYSA-N |
| MDL Number | MFCD21496639 |
| Molecular Formula | C43H40N6O3 |
| Molecular Weight | 688.8161 |
| SMILES | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)C(O)(C)C |
| Synonyms | Trityl olMesartan acid,
761404-85-7,
IMI060,
SCHEMBL1308518,
DTXSID30597610,
WBRMIXBFMUWHHX-UHFFFAOYSA-N,
AKOS030623065,
ZINC150339399,
RP17798,
J-513312,
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-,
4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid,
4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-imidazole-5-carboxylic acid,
4-(2-Hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylic acid,
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid,
|
| Complexity | 1080 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 688.316g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 688.832g/mol |
| Monoisotopic Mass | 688.316g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number