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Marbofloxacin N-oxide

CAT: 0572-TRC-M197005-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M197005-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
194023-72-8
Synonyms
Marbofloxacin N-oxide; 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-4-oxido-1-piperazinyl)-7-oxo-; 9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-4-oxido-1-piperazinyl)-7-oxo-7H-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carbox
Hazard Statement
No Data Available
Smiles
CN1COc2c(N3CC[N+](C)([O-])CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Molecular Formula
C17 H19 F N4 O5
Molecular Weight
378.355
InChI
InChI=1S/C17H19FN4O5/c1-19-9-27-16-13-10(15(23)11(17(24)25)8-21(13)19)7-12(18)14(16)20-3-5-22(2,26)6-4-20/h7-8H,3-6,9H2,1-2H3,(H,24,25)
Shipping Conditions
Room Temperature

Chemical Information

Marbofloxacin N-oxide
CAS Number194023-72-8
PubChem CID10992482
IUPAC Name7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC17H19FN4O5
Molecular Weight378.4
XLogP-1
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity680
SMILES
CN1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O
InChI
InChI=1S/C17H19FN4O5/c1-19-9-27-16-13-10(15(23)11(17(24)25)8-21(13)19)7-12(18)14(16)20-3-5-22(2,26)6-4-20/h7-8H,3-6,9H2,1-2H3,(H,24,25)
InChIKey
KJIJNJIGYMMPSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Marbofloxacin N-oxide
CAS: 194023-72-8
CID: 10992482
Formula: C17H19FN4O5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass378.13394788
Monoisotopic Mass378.13394788
Topological Polar Surface Area91.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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