HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Epianhydrochlortetracycline Hydrochloride
4-epi-Anhydrochlortetracycline HCl · 4-Epianhydrochlortetracycline(EACTC) · Tetracycline impurity 11 (hydrochloride) · Epianhydrochlortetracycline hydrochloride · 4-EPIANHYDROCHLORTETRACYCLINE HYDROCHLORIDE, CAN B · 4-Epianhydrochlortetracycline Hydrochloride (>90%) · 4-Epianhydrochlortetracycline Hydrochloride in Methanol · 4-Epianhydrochlortetracycline hydrochloride, CAN be used as secondary standard
Identifiers & Physical Properties
| CAS No. | 158018-53-2 |
|---|---|
| Molecular formula | C22H22Cl2N2O7 |
| Average molar mass | 497.3 g/mol |
| SMILES | Cc1c2c(c(O)c3c(O)ccc(Cl)c13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]1C2.Cl |
| InChIKey | WIOSVFADOBZUQR-PXAZKYFKSA-N |
| PubChem CID | 54710413 |
| ChEMBL | CHEMBL1950581 |
| DTXSID | DTXSID80716137 |
Chemical & Physical Properties
| Topological polar surface area | 161 |
|---|---|
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 2 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 892 |
| Melting point | 222°C |
| Storage conditions | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Solubility | DMF: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble |
| Physical state | Powder |
| Color | Orange |
| Stability | Hygroscopic |
| EPA Substance Registry System | 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, hydrochloride(1:1), (4R,4aS,12aS)- (158018-53-2) |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Warning |
| GHS hazard statements | H302-H319-H361 |
| GHS precautionary statements | P201-P202-P264-P270-P280-P301+P312-P330-P305+P351+P338-P308+P313-P337+P313-P405-P501 |
| Customs code | 29413000 |
Safety & Regulations
| Customs code | 29413000 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07,GHS08 |
| GHS hazard statements | H302-H319-H361 |
| GHS precautionary statements | P201-P202-P264-P270-P280-P301+P312-P330-P305+P351+P338-P308+P313-P337+P313-P405-P501 |
Applications & Uses
Uses
Modified Tetracycline analog
Uses
Epianhydrochlortetracycline is a secondary degradation product formed by dehydration of epichlortetracycline at the C6 position to aromatise the B ring. Epianchlorhydrotetracycline is an important standard for monitoring tetracycline stability.