Analyte Name

Moxifloxacin-13Cd3 N-Sulfate Disodium Salt

Molecular Formula

13C C20 D3 H19 F N3 Na2 O7 S

Molecular Weight

529.469

Accurate Mass

529.118

SMILES

[2H][13C]([2H])([2H])Oc1c(N2C[C@@H]3CCCN([C@@H]3C2)S(=O)(=O)O[Na])c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O[Na]

InChI

InChI=1S/C21H24FN3O7S.2Na/c1-32-20-17-13(19(26)14(21(27)28)9-24(17)12-4-5-12)7-15(22)18(20)23-8-11-3-2-6-25(16(11)10-23)33(29,30)31;;/h7,9,11-12,16H,2-6,8,10H2,1H3,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t11-,16+;;/m0../s1/i1+1D3;;

IUPAC

[(4aS,7aS)-6-[1-cyclopropyl-6-fluoro-4-oxo-3-sodiooxycarbonyl-8-(trideuterio(113C)methoxy)quinolin-7-yl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]sulfonyloxysodium

Unlabelled CAS Number

234080-64-9

SIL Type

Deuterium, Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat