1616342-45-0
| Name | (2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid |
| CAS | 1616342-45-0 |
| Molecular Formula | C15H16N2O6 |
| MDL Number | MFCD31730918 |
| Molecular Weight | 320.3 |
| MOL File | 1616342-45-0.mol |
Chemical Properties
| Boiling point | 591.5±50.0 °C(Predicted) |
| density | 1.58±0.1 g/cm3(Predicted) |
| pka | 5.52±0.20(Predicted) |
| InChI | InChI=1S/C15H16N2O6/c1-22-13-11-14(19)17-7-2-3-8(4-7)23-10(17)6-16(11)5-9(12(13)18)15(20)21/h5,7-8,10H,2-4,6H2,1H3,(H,20,21)/t7-,8+,10+/m0/s1 |
| InChIKey | GARGTTZRFPGJSI-QXFUBDJGSA-N |
| SMILES | O1[C@@]2([H])C[C@]([H])(CC2)N2C(=O)C3=C(OC)C(=O)C(C(O)=O)=CN3C[C@@]12[H] |