HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Hydroxymethylflucloxacillin
5-Hydroxymethyl Flucloxacillin · 5-HydroxyMethyl Flucloxacillin DISCONTINUED · (2S,5R,6R)-6-[[[3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid · 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

Identifiers & Physical Properties
| CAS No. | 75524-31-1 |
|---|---|
| Molecular formula | C19H17ClFN3O6S |
| Average molar mass | 469.9 g/mol |
| Monoisotopic mass | 469.0510623 g/mol |
| SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)c3c(-c4c(F)cccc4Cl)noc3CO)C(=O)N2[C@H]1C(=O)O |
| InChIKey | ZUBWLMQDPXVIGD-JKIFEVAISA-N |
| PubChem CID | 64708 |
| DTXSID | DTXSID701364858 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 158 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 5 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 775 |
Applications & Uses
Uses
A metabolite of Flucloxacillin.