HuagongsheHuagongshe Chemistry Print Report · For research reference only
Anhydrochlortetracycline
ACTC · ASD5 · CMD1R · CMH11 · LVNC4 · acta1b · MGC110101 · Zinc02512531
Identifiers & Physical Properties
| CAS No. | 4497-08-9 |
|---|---|
| Molecular formula | C22H21ClN2O7 |
| Average molar mass | 460.9 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 |
| InChIKey | NICZYMKKWKYGHT-BAQLRCJTSA-N |
| PubChem CID | 54693278 |
| ChEBI | CHEBI:81648 |
| DTXSID | DTXSID50912301 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 161 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 2 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 892 |
| Drugs | Pharmaceuticals -> Antibiotics |
| Melting point | 250 °C |
| Boiling point | 709.3±60.0 °C(Predicted) |
| Density | 1.67±0.1 g/cm3(Predicted) |
| Storage conditions | -20°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | buffered aqueous solution |
| pKa (acidity coefficient) | 4.46±0.70(Predicted) |
| Color | Orange to Dark Orange |
| Stability | Light Sensitive, Temperature Sensitive |
| FDA UNII | MFG32T0I30 |
| 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-, (4S,4aS,12aS)- (4497-08-9) |
| Hazard symbols | Xn |
| Risk statements (R) | 63-36 |
| Safety statements (S) | 36/37/39-26 |
Safety & Regulations
| Regulatory information | 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|---|
| Risk statements (R) | 63-36 |
| Hazard symbols | Xn |
| Safety statements (S) | 36/37/39-26 |
Applications & Uses
Uses
Anhydrochlortetracycline is a degradation product of chlortetracycline formed by acid-catalysed isomerisation of the dimethylamino group at C4. Anhydrochlortetracycline exhibits little antibiotic activity but its abundance is indicative of poor storage and handling of chlortetracycline.