| CAS Number | 114799-13-2 |
| Catalog Number | AG0091W9(AGN-PC-0P6RLB) |
| Chemical Name | [2-butyl-5-chloro-1-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1h-imidazol-4-yl]methanol |
| IUPAC Name | [2-butyl-5-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol |
| InChI | InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-19(14-30)21(23)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) |
| InChI Key | JWFIXKFLBIURBL-UHFFFAOYSA-N |
| MDL Number | MFCD27967019 |
| Molecular Formula | C22H23ClN6O |
| Molecular Weight | 422.9106 |
| SMILES | CCCCC1N(CC2=CC=C(C3=C(C4NN=NN=4)C=CC=C3)C=C2)C(Cl)=C(CO)N=1 |
| UNII | ILI5UB76JR |
| Synonyms | UNII-ILI5UB76JR,
ILI5UB76JR,
114799-13-2,
Losartan potassium impurity C [EP],
SCHEMBL3121770,
Losartan IMpurity C (Isolosartan),
ZINC65743146,
AKOS027324029,
(2-Butyl-5-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazol-4-yl)methanol,,
1H-Imidazole-4-methanol, 2-butyl-5-chloro-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-,
[2-butyl-5-chloro-1-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol,
[2-Butyl-5-chloro-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-imidazol-4-yl]methanol,
|
| Complexity | 520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.917g/mol |
| Monoisotopic Mass | 422.162g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number