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Levofloxacin Hydroxy Acid

PubChem CID
24961084
Structure
Levofloxacin Hydroxy Acid_small.png
Levofloxacin Hydroxy Acid_3D_Structure.png
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

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Levofloxacin Hydroxy Acid.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

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)

2.1.2 InChI

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)

2.1.3 InChIKey

CUHVVQXWFAHAGQ-JTQLQIEISA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

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)

2.2 Molecular Formula

C18H21F2N3O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

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)

5 Chemical Vendors

6 Patents

6.1 Depositor-Supplied Patent Identifiers

6.2 WIPO PATENTSCOPE

7 Classification

7.1 PFAS and Fluorinated Organic Compounds in PubChem

8 Information Sources

CONTENTS