HuagongsheHuagongshe Chemistry Print Report · For research reference only
Temafloxacin
Teflox · A-63004 · A-62254 · Omniflox · AKOS 92085 · TEMAFLOXACIN · TeMafloxacin HCl · TEMAFLOXACIN USP/EP/BP
Identifiers & Physical Properties
| CAS No. | 108319-06-8 |
|---|---|
| Molecular formula | C21H18F3N3O3 |
| Average molar mass | 417.4 g/mol |
| Monoisotopic mass | 417.13002593 g/mol |
| SMILES | CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 |
| InChIKey | QKDHBVNJCZBTMR-UHFFFAOYSA-N |
| PubChem CID | 60021 |
| ChEMBL | CHEMBL277100 |
| ChEBI | CHEBI:77796 |
| DTXSID | DTXSID7044132 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 3 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 721 |
| Drugs | Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic usePharmaceuticals -> Antibiotics |
| Collision Cross Section | 193.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7044132] |
| Melting point | >200°C (dec.) |
| Boiling point | 608.9±55.0 °C(Predicted) |
| Density | 1.3372 (estimate) |
| Storage conditions | 2-8°C(protect from light) |
| Solubility | Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 6.02±0.41(Predicted) |
| Color | White to Off-White |
| Stability | Hygroscopic |
| InChI | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30) |
| InChIKey | QKDHBVNJCZBTMR-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=C(F)C=C2F)C2=C(C=C(F)C(N3CCNC(C)C3)=C2)C(=O)C(C(O)=O)=C1 |
| FDA UNII | 1WZ12GTT67 |
| ATC code | J01MA05 |
Safety & Regulations
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)temafloxacinDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
|---|
Applications & Uses
Description
Temafloxacin is a fluoroquinolone antibiotic that acts as a DNA topoisomerase inhibitor. It has broad antimicrobial activity against gram-positive and gram-negative bacteria, such as S. pneumoniae, M. hominis, and anaerobic bacteria, including B. fragilis.
Uses
Antibacterial (microbial DNA topoisomerase inhibitor).
Uses
Temafloxacin is an antimicrobial quinolone drug.