112811-57-1
| Name | 1-Cyclopropyl-6-fluoro-8-Methoxy-4-oxo-7-(piperazin-1-yl)1,4-dihydroquinoline-3-carboxylic acid |
| CAS | 112811-57-1 |
| Molecular Formula | C18H20FN3O4 |
| MDL Number | MFCD25973505 |
| Molecular Weight | 361.37 |
| MOL File | 112811-57-1.mol |
Chemical Properties
| Melting point | 197 °C(Solv: chloroform (67-66-3); ethanol (64-17-5)) |
| Boiling point | 611.3±55.0 °C(Predicted) |
| density | 1.441±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C(protect from light) |
| pka | 6.43±0.50(Predicted) |
| Major Application | pharmaceutical |
| InChI | InChI=1S/C18H20FN3O4/c1-26-17-14-11(8-13(19)15(17)21-6-4-20-5-7-21)16(23)12(18(24)25)9-22(14)10-2-3-10/h8-10,20H,2-7H2,1H3,(H,24,25) |
| InChIKey | XJCSNIFKGXSDGN-UHFFFAOYSA-N |
| SMILES | N1(C2CC2)C2=C(C=C(F)C(N3CCNCC3)=C2OC)C(=O)C(C(O)=O)=C1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| WGK Germany | WGK 3 |
| HS Code | 2933599550 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |