Analyte Name

3-Chloro-oxacillin Sodium Salt

Molecular Formula

C19H17ClN3O5S.Na

Molecular Weight

457.86

Accurate Mass

457.05

SMILES

O=C(C1=C(C)ON=C1C2=CC=CC(Cl)=C2)N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@@H]4C([O-])=O)=O.[Na+]

InChI

InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-5-4-6-10(20)7-9)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

IUPAC

Sodium (2S,5R,6R)-6-(3-(3-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Alternate CAS Number

724695-30-1

Country of Origin

CANADA

Product Format

Neat