Cloxacillin-13C4 Sodium Salt

Analyte Name

Cloxacillin-13C4 Sodium Salt

Molecular Formula

C15¹³C4H17ClN3NaO5S

Molecular Weight

461.83

Accurate Mass

461.06

SMILES

O=[13C](N[C@@H]1C(N2[C@@]1(SC(C)([C@@H]2C(O[Na])=O)C)[H])=O)[13C]3=[13C](ON=C3C4=CC=CC=C4Cl)[13CH3]

InChI

InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1/i1+1,8+1,11+1,15+1;

IUPAC

sodium (2S,5R,6R)-6-(3-(2-chlorophenyl)-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

642-78-4

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Cloxacillin Sodium

Purity

>95% (HPLC)