HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Epichlortetracycline
4-Epichlorotetracycline · Aureomycin Impurity · Aureomycin Impurity A · Lymecycline Impurity 9 · 4-Epichlortetracycline. · (4α)-7-Chlorotetracycline · Aureomycin Impurity A(EP) · 4-epi chlortetracycline.HCl
Identifiers & Physical Properties
| CAS No. | 14297-93-9 |
|---|---|
| Molecular formula | C22H23ClN2O8 |
| Average molar mass | 478.9 g/mol |
| Monoisotopic mass | 478.11429338 g/mol |
| SMILES | CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12 |
| InChIKey | DHPRQBPJLMKORJ-XRZQSNOTSA-N |
| PubChem CID | 54678407 |
| ChEMBL | CHEMBL1963084 |
| DTXSID | DTXSID501372576 |
Chemical & Physical Properties
| XLogP | -1.3 |
|---|---|
| Topological polar surface area | 182 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 2 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 1,010 |
| Drugs | Pharmaceuticals -> Antibiotics |
| Boiling point | 821.1±65.0 °C(Predicted) |
| Density | 1.70±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |
| FDA UNII | 35ZT5OEQ74 |
| EPA Substance Registry System | 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)- (14297-93-9) |