| CAS Number | 117678-38-3 |
| Catalog Number | AG0091W6(AGN-PC-0PAU9S) |
| Chemical Name | Levofloxacin N-oxide |
| IUPAC Name | (2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid |
| InChI | InChI=1S/C18H20FN3O5/c1-10-9-27-17-14-11(16(23)12(18(24)25)8-21(10)14)7-13(19)15(17)20-3-5-22(2,26)6-4-20/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 |
| InChI Key | MVLAUMUQGRQERL-JTQLQIEISA-N |
| MDL Number | MFCD24386420 |
| Molecular Formula | C18H20FN3O5 |
| Molecular Weight | 377.3669 |
| SMILES | Fc1cc2c3c(c1N1CCN(=O)(CC1)C)OC[C@@H](n3cc(c2=O)C(=O)O)C |
| UNII | UE0E2O42UC |
| Synonyms | Levofloxacin N-oxide,
UNII-UE0E2O42UC,
117678-38-3,
UE0E2O42UC,
DTXSID60151865,
ZINC22065454,
(S)-4-(6-Carboxy-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-(1,4)oxazino(2,3,4-ij)quinolin-10-yl)-1-methylpiperazine 1-oxide,
(S)-4-(6-Carboxy-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinolin-10-yl)-1-methylpiperazine1-oxide,
CID10970860,
CS-O-060110,
CID 10970860,
|
| Complexity | 678 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.372g/mol |
| Monoisotopic Mass | 377.139g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number