Analyte Name

Penicillanic Acid Sodium Salt-d2

Molecular Formula

C8H8D2NNaO3S

Molecular Weight

225.24

Accurate Mass

225.04

SMILES

O=C([C@@H]1N(C2=O)[C@](C2([2H])[2H])([H])SC1(C)C)O[Na]

InChI

InChI=1S/C8H11NO3S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1/i3D2;

IUPAC

sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate-6,6-d2

Alternate CAS Number

Free Acid: 77741-85-6

Unlabelled CAS Number

4027-62-7; free Acid: 87-53-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat