CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
CAS: 138199-71-0
Name: bis((2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid);hydrate
SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O

Molecular Processing

Molecular formula
C36H42F2N6O9
Molecular weight
740.76
Exact mass
740.2981
XLogP
2.26
TPSA
181.52
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
53
Rings
8
Aromatic rings
4
Saturated rings
2
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
17
Covalent units
3
Fraction Csp3
0.444
Molar refractivity
193.7

Supplementary Information

InChIKey: SUIQUYDRLGGZOL-RCWTXCDDSA-N
Synonyme
Levofloxacin hydrateDTXSID60160533RefChem:1088440DTXCID2083024(3S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid hemihydrate138199-71-0DynaquinMFCD07772024Levofloxacin (hydrate)(S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrate(2:1)7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (3S)-Levaquin (TN)7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-hydrate (2:1), (S)-Levofloxacin [USAN](2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrateUNII-6GNT3Y5LMFRWJ 252137H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (3S)-; 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (S)-; Dynaquin; Leeflox; Levofloxacin; Levofloxacin hydrateLevofloxacin (USP)Quixin (TN)Iquix (TN)LevofloxacinHemihydrateLevofloxacin hemihydrate CRSLEVOFLOXACIN [VANDF]LEVOFLOXACIN [MART.](S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1)Levofloxacin hydrate (JP18)LEVOFLOXACIN [USP-RS]LEVOFLOXACIN HEMIHIDRATEDorb1308581
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