HuagongsheHuagongshe Chemistry Print Report · For research reference only
Rlh 033
RLH 033
Identifiers & Physical Properties
| CAS No. | 157097-10-4 |
|---|---|
| Molecular formula | C25H31ClN2O4 |
| Average molar mass | 459 g/mol |
| Monoisotopic mass | 458.1972352 g/mol |
| SMILES | Cl.O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 |
| InChIKey | RQQAHFSSIAWEPI-UHFFFAOYSA-N |
| PubChem CID | 190867 |
| ChEMBL | CHEMBL541284 |
| DTXSID | DTXSID40166210 |
Chemical & Physical Properties
| Topological polar surface area | 75.4 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 591 |
Applications & Uses
Description
RLH 033 is a potent and selective ligand for the sigma 1 recognition site.
Uses
RLH-033 is a potent and selective ligand for the sigma 1 recognition site. RLH-033 has high affinity for sigma 1 sites labeled by [3H](+)-pentazocine with a Ki of 50 pM[1].