Analyte Name

N-Nitroso Desmethyl Levofloxacin-d8

Molecular Formula

C17H9D8FN4O5

Molecular Weight

384.39

Accurate Mass

384.17

SMILES

O=C(O)C(C1=O)=CN2[C@H](COC3=C(C(F)=CC1=C23)N4C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C4([2H])[2H])N=O)C

InChI

InChI=1S/C17H17FN4O5/c1-9-8-27-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19-26)5-3-20/h6-7,9H,2-5,8H2,1H3,(H,24,25)/t9-/m0/s1/i2D2,3D2,4D2,5D2

IUPAC

(S)-9-Fluoro-3-methyl-10-(4-nitrosopiperazin-1-yl-2,2,3,3,5,5,6,6-d8)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic Acid

Unlabelled CAS Number

1152314-62-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite

Product Format

Neat

Impurity Type

Nitrosamine