| CAS Number | 939825-12-4 |
| Catalog Number | AG01E5X3 |
| Chemical Name | OB-24 |
| IUPAC Name | 1-[[2-[2-(4-bromophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride |
| InChI | InChI=1S/C15H17BrN2O2.ClH/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18;/h1-4,7-8,12H,5-6,9-11H2;1H |
| InChI Key | YSOWYXRHOAXXTG-UHFFFAOYSA-N |
| MDL Number | MFCD31544495 |
| Molecular Formula | C15H18BrClN2O2 |
| Molecular Weight | 373.6726 |
| SMILES | BrC1C=CC(CCC2(CN3C=NC=C3)OCCO2)=CC=1.Cl |
| Synonyms | CHEMBL539857,
939825-12-4,
OB24Hydrochloride,
OB 24 hydrochloride,
1-[[2-[2-(4-Bromophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]-1H-imidazole hydrochloride,
SCHEMBL407935,
AKOS032962875,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.675g/mol |
| Monoisotopic Mass | 372.024g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number