Moxifloxacin Hydrochloride-13CD3

Analyte Name

Moxifloxacin Hydrochloride-13CD3

CAS Number

1246816-75-0

Molecular Formula

C20 13C H21 D3 F N3 O4

Molecular Weight

405.45

Accurate Mass

405.2

SMILES

O=C1C2=CC(F)=C(N3C[C@@H](CCCN4)([H])[C@@H]4([H])C3)C(O[13C]([2H])([2H])[2H])=C2N(C5CC5)C=C1C(O)=O.Cl

InChI

InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1/i1+1D3;

IUPAC

1-cyclopropyl-6-fluoro-8-(methoxy-13C-d3)-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Unlabelled CAS Number

186826-86-8; Free Base: 1246911-88-5

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Moxifloxacin

Purity

>95% (HPLC)