| CAS Number | 1322062-57-6 |
| Catalog Number | AG009X98(AGN-PC-0WBMLR) |
| Chemical Name | Moxifloxacin Decarboxy Analog |
| IUPAC Name | 7-[(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinolin-4-one |
| InChI | InChI=1S/C20H24FN3O2/c1-26-20-18-14(17(25)6-8-24(18)13-4-5-13)9-15(21)19(20)23-10-12-3-2-7-22-16(12)11-23/h6,8-9,12-13,16,22H,2-5,7,10-11H2,1H3/t12-,16-/m0/s1 |
| InChI Key | OULQTEYVKYNDBD-LRDDRELGSA-N |
| MDL Number | MFCD34469893 |
| Molecular Formula | C20H24FN3O2 |
| Molecular Weight | 357.4219 |
| SMILES | C1(CC1)N1C=CC(C2=CC(=C(C(=C12)OC)N1C[C@H]2NCCC[C@H]2C1)F)=O |
| Synonyms | Descarboxy Moxifloxacin,
1322062-57-6,
7-{(1S,6S)-2.8-Diazabicyclo[4.3.0]non-8-yl}-1-cyclopropyl-6-fluoro-8-methoxy-1H-quinolin-4-one,
|
| Complexity | 596 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.185255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.4g/mol |
| Monoisotopic Mass | 357.185255g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number