Flucloxacillin-13C4 Sodium

Analyte Name

Flucloxacillin-13C4 Sodium

Molecular Formula

C15 13C4 H16 Cl F N3 Na O5 S

Molecular Weight

479.82

Accurate Mass

479.05

SMILES

[H][C@@]12[C@H](N[13C]([13C]3=[13C]([13CH3])ON=C3C4=C(F)C=CC=C4Cl)=O)C(N1[C@@H](C(O[Na])=O)C(C)(C)S2)=O

InChI

InChI=1S/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1/i1+1,7+1,10+1,15+1;

IUPAC

sodium (2S,5R,6R)-6-(3-(2-chloro-6-fluorophenyl)-5-(methyl-13C)isoxazole-4-carboxamido-13C)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Unlabelled CAS Number

1847-24-1

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)