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(S)-Flumequine

CAT: 0572-TRC-F445015-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F445015-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
202349-45-9
Synonyms
(S)-Flumequine
Hazard Statement
No Data Available
Smiles
C[C@H]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O
Molecular Formula
C14 H12 F N O3
Molecular Weight
261.248
InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1
Shipping Conditions
Room Temperature

Chemical Information

Flumequine, (S)-

(S)-flumequine is a 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (S)-enantiomer of flumequine. It is an enantiomer of a (R)-flumequine.

CAS Number202349-45-9
PubChem CID6918894
IUPAC Name(12S)-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular FormulaC14H12FNO3
Molecular Weight261.25
XLogP2.9
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity462
SMILES
C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1
InChIKey
DPSPPJIUMHPXMA-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Flumequine, (S)-
CAS: 202349-45-9
CID: 6918894
Formula: C14H12FNO3
MW: 261.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.25
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass261.08012141
Monoisotopic Mass261.08012141
Topological Polar Surface Area57.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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