Analyte Name

Gemifloxacin-13C2,d2

CAS Number

1185236-78-5

Molecular Formula

13C2 C16 D2 H18 F N5 O4

Molecular Weight

393.378

Accurate Mass

393.169

SMILES

[2H]C([2H])(N)C1CN([13CH2]/[13C]/1=N\OC)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4

InChI

InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+/i5D2,8+1,14+1

IUPAC

7-[(4Z)-3-[amino(dideuterio)methyl]-4-methoxyimino(4,5-13C2)azolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Unlabelled CAS Number

175463-14-6

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat