Penicillin G-D7 N-Ethylpiperidinium Salt

Analyte Name

Penicillin G-D7 N-Ethylpiperidinium Salt

CAS Number

1217445-37-8

Molecular Formula

C16 2H7 H11 N2 O4 S . C7 H15 N

Molecular Weight

454.634

Accurate Mass

454.263

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O.CCN4CCCCC4

InChI

InChI=1S/C16H18N2O4S.C7H15N/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;1-2-8-6-4-3-5-7-8/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);2-7H2,1H3/t11-,12+,14-;/m1./s1/i3D,4D,5D,6D,7D,8D2;

IUPAC

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

Alternate CAS Number

39879-63-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)