Oxacillin for peak identification CRS

Analyte Name

Oxacillin sodium salt hydrate

CAS Number

7240-38-2

Molecular Formula

C19 H18 N3 O5 S . Na . H2 O

Molecular Weight

441.43

Accurate Mass

441.0971

Flash Point

5.0

SMILES

O.[Na+].Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-]

InChI

InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

IUPAC

sodium;(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate

Alternate CAS Number

Free acid: 66-79-5

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

FRANCE

Tariff Code

29411000

Product Type

Other

Product Format

Mixture

API Family

Oxacillin Sodium Monohydrate