HuagongsheHuagongshe Chemistry Print Report · For research reference only
Sarecycline
Sarecycline Base · Sarecycline free base · Sarecycline Impurity 5 · PQJQFLNBMSCUSH-SBAJWEJLSA-N · Fosravuconazole bis(L-lysine · Minocycline Impurity 27 (Sarecycline) · 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-[(methoxymethylamino)methyl]-1,11-dioxo-, (4S,4aS,5aR,12aS)-
Identifiers & Physical Properties
| CAS No. | 1035654-66-0 |
|---|---|
| Molecular formula | C24H29N3O8 |
| Average molar mass | 487.5 g/mol |
| SMILES | CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O |
| InChIKey | PQJQFLNBMSCUSH-SBAJWEJLSA-N |
| PubChem CID | 54681908 |
| ChEMBL | CHEMBL2364632 |
| DTXSID | DTXSID001027924 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 174 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 5 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 1,010 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Boiling point | 787.0±70.0 °C(Predicted) |
| Density | 1.53±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |
| FDA UNII | 94O110CX2E |
| GHS pictogram | GHS08 |
| Signal word | Danger |
| GHS hazard statements | H360 |
| REACH registrations | Active |
Safety & Regulations
| Signal word | Danger |
|---|---|
| GHS pictogram | GHS08 |
| GHS hazard statements | H360 |
| REACH registrations | Active |
Applications & Uses
Uses
Sarecycline-d6 Hydrochloride is a labelled analogue of Sarecycline Hydrochloride(S140525), which is a substituted tetracycline compound used for treatment of bacterial infections and neoplasms.