Analyte Name

Methicillin-d6 Sodium

CAS Number

1356847-96-5

Molecular Formula

C17 D6 H13 N2 O6 S . Na

Molecular Weight

408.434

Accurate Mass

408.124

SMILES

[Na+].[2H]C([2H])([2H])Oc1cccc(OC([2H])([2H])[2H])c1C(=N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)[O-]

InChI

InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12+,15-;/m1./s1/i3D3,4D3;

IUPAC

sodium;N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2,6-bis(trideuteriomethoxy)benzenecarboximidate

Unlabelled CAS Number

132-92-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat