Penicillin G-d5 Potassium Salt (phenyl-d5)

Analyte Name

Penicillin G-d5 Potassium Salt (phenyl-d5)

Molecular Formula

C16 D5 H12 N2 O4 S . K

Molecular Weight

377.511

Accurate Mass

377.086

SMILES

[K+].[2H]c1c([2H])c([2H])c(CC(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-])c([2H])c1[2H]

InChI

InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1/i3D,4D,5D,6D,7D;

IUPAC

potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Alternate CAS Number

113-98-4

Unlabelled CAS Number

113-98-4

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

Penicillin G Potassium Salt

Purity

>95% (HPLC)