| CAS Number | 1346603-62-0 |
| Catalog Number | AG003AL4(AGN-PC-0WH2IG) |
| Chemical Name | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-[[2-(methylamino)ethyl]amino]-7-oxo-, hydrochloride (1:1), (3S)- |
| IUPAC Name | (2S)-7-fluoro-2-methyl-6-[2-(methylamino)ethylamino]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C16H18FN3O4.ClH/c1-8-7-24-15-12(19-4-3-18-2)11(17)5-9-13(15)20(8)6-10(14(9)21)16(22)23;/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,22,23);1H/t8-;/m0./s1 |
| InChI Key | XCUXHIUSNKPZPM-QRPNPIFTSA-N |
| MDL Number | MFCD29079033 |
| Molecular Formula | C16H19ClFN3O4 |
| Molecular Weight | 371.7912 |
| SMILES | O=C(C(C3=O)=CN1[C@@H](C)COC2=C(NCCNC)C(F)=CC3=C12)O.[H]Cl |
| Synonyms | 1346603-62-0,
N,N'-Desethylene Levofloxacin Hydrochloride,
N,N inverted exclamation mark -Desethylene Levofloxacin Hydrochloride,
(S)-9-Fluoro-2,3-dihydro-3-methyl-10-[[2-(methylamino)ethyl]amino]-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid Hydrochloride,
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-[[2-(methylamino)ethyl]amino]-7-oxo-, hydrochloride (1:1), (3S)-,
Levofloxacin Related Compound E,
XCUXHIUSNKPZPM-QRPNPIFTSA-N,
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| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.793g/mol |
| Monoisotopic Mass | 371.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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