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Desmethyl Levofloxacin

CAT: 0572-TRC-D291844-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D291844-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117707-40-1
Synonyms
(S)-9-Fluoro-2,3-dihydro-3-methyl-7-oxo-10-(1-piperazinyl)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; DN 5455; Desmethyl Levofloxacin; UING 4-255; Levofloxacin Related Compound A (USP); Levofloxacin Related Compound A; Levofloxacin Hemihydrate Impurity B
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
C[C@H]1COc2c(N3CCNCC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Molecular Formula
C17 H18 F N3 O4
Molecular Weight
347.34
InChI
InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Desmethyl levofloxacin

Ofloxacin impurity e is a member of quinolines.

CAS Number117707-40-1
PubChem CID10958963
IUPAC Name(2S)-7-fluoro-2-methyl-10-oxo-6-piperazin-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC17H18FN3O4
Molecular Weight347.34
XLogP-0.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity607
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
InChI
InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1
InChIKey
WKRSSAPQZDHYRV-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl levofloxacin
CAS: 117707-40-1
CID: 10958963
Formula: C17H18FN3O4
MW: 347.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.34
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass347.12813423
Monoisotopic Mass347.12813423
Topological Polar Surface Area82.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity607
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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