Piperacillin-d5

Analyte Name

Piperacillin ethyl-d5

Molecular Formula

C23 2H5 H22 N5 O7 S

Molecular Weight

522.59

Accurate Mass

522.1945

SMILES

[2H]C([2H])([2H])C([2H])([2H])N1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O

InChI

InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1/i1D3,4D2

IUPAC

(2S,5R,6R)-6-[[(2R)-2-[[2,3-dioxo-4-(1,1,2,2,2-pentadeuterioethyl)piperazine-1-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Unlabelled CAS Number

61477-96-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Piperacillin