HuagongsheHuagongshe Chemistry Print Report · For research reference only
Minalrestat
ARI509 · ARI-509 · WAYARI-509 · WAY-ARI-509 · Minalrestat · Unii-G44pe6qb31 · 2-(4-Bromo-2-fluorobenzyl)-6-fluoro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetraone · Spiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrone, 2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-
Identifiers & Physical Properties
| CAS No. | 129688-50-2 |
|---|---|
| Molecular formula | C19H11BrF2N2O4 |
| Average molar mass | 449.2 g/mol |
| Monoisotopic mass | 447.98703 g/mol |
| SMILES | O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 |
| InChIKey | BMHZAHGTGIZZCT-UHFFFAOYSA-N |
| PubChem CID | 190816 |
| ChEMBL | CHEMBL273910 |
| ChEBI | CHEBI:177696 |
| DTXSID | DTXSID201021572 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 83.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 735 |
| LogP (partition coefficient) | 2.82 |
| Melting point | 231-232℃ |
| Density | 1.45 |
| FDA UNII | G44PE6QB31 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
Inhibitor(aldose reductase).