Levofloxacin Hydroxy Acid
PubChem CID
24961084
Structure
Molecular Formula
Synonyms
- Levofloxacin Hydroxy Acid
- 1036016-10-0
- 6,8-difluoro-1-[(2S)-1-hydroxypropan-2-yl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
- (s)-6,8-difluoro-1-(1-hydroxypropan-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 3-Quinolinecarboxylic acid, 6,8-difluoro-1,4-dihydro-1-[(1S)-2-hydroxy-1-methylethyl]-7-(4-methyl-1-piperazinyl)-4-oxo-; 6,8-Difluoro-1,4-dihydro-1-[(1S)-2-hydroxy-1-methylethyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
Molecular Weight
381.4 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2008-10-13
- Modify:2024-12-28
Chemical Structure Depiction
6,8-difluoro-1-[(2S)-1-hydroxypropan-2-yl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C18H21F2N3O4/c1-10(9-24)23-8-12(18(26)27)17(25)11-7-13(19)16(14(20)15(11)23)22-5-3-21(2)4-6-22/h7-8,10,24H,3-6,9H2,1-2H3,(H,26,27)/t10-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CUHVVQXWFAHAGQ-JTQLQIEISA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@@H](CO)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C)F)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C18H21F2N3O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Levofloxacin Hydroxy Acid
- 1036016-10-0
- 6,8-difluoro-1-[(2S)-1-hydroxypropan-2-yl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
- (s)-6,8-difluoro-1-(1-hydroxypropan-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 3-Quinolinecarboxylic acid, 6,8-difluoro-1,4-dihydro-1-[(1S)-2-hydroxy-1-methylethyl]-7-(4-methyl-1-piperazinyl)-4-oxo-; 6,8-Difluoro-1,4-dihydro-1-[(1S)-2-hydroxy-1-methylethyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
- SCHEMBL3600004
- CUHVVQXWFAHAGQ-JTQLQIEISA-N
- (1S)-6,8-Difluoro-1-[2-hydroxy-1-methylethyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic Acid
- (S)-6,8-difluoro-1-(1-hydroxypropan-2-yl)-7-(4-methyl piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 6,8-Difluoro-1,4-dihydro-1-[(1S)-2-hydroxy-1-methylethyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic Acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
381.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
-0.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
381.15001248 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
381.15001248 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
84.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
624
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CUHVVQXWFAHAGQ-JTQLQIEISA-N
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- PATENTSCOPE (WIPO)SID 402870538https://pubchem.ncbi.nlm.nih.gov/substance/402870538
CONTENTS