Analyte Name

(+)-6-Aminopenicillanic Acid-d3

Molecular Formula

C8 D3 H9 N2 O3 S

Molecular Weight

219.276

Accurate Mass

219.076

SMILES

[2H]C([2H])([2H])[C@]1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1/i1D3/t3-,4+,6-,8-

IUPAC

(2S,3S,5R,6R)-6-amino-3-methyl-7-oxo-3-(trideuteriomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Unlabelled CAS Number

551-16-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat