| CAS Number | 1414376-84-3 |
| Catalog Number | AG01ENHL(AGN-PC-3H45LJ) |
| Chemical Name | 2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminiumiodide |
| IUPAC Name | [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide |
| InChI | InChI=1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1 |
| InChI Key | IXXWHYDKYNWDKJ-IUQUCOCYSA-M |
| MDL Number | MFCD00149997 |
| Molecular Formula | C24H38N8O |
| Molecular Weight | 454.6115 |
| SMILES | N1(C2=NC=CC=N2)CCN(CCCCOCCCCN3CCN(C4=NC=CC=N4)CC3)CC1 |
| Synonyms | VUF 11222,
1414376-84-3,
CHEMBL2181442,
AKOS027470250,
AKOS034831594,
2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide,
2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminiumiodide,
IXXWHYDKYNWDKJ-IUQUCOCYSA-M,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 551.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 552.338g/mol |
| Monoisotopic Mass | 551.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number