Penicillin V-d5

Analyte Name

Penicillin V-d5

CAS Number

1356837-87-0

Molecular Formula

C16D5H13N2O5S

Molecular Weight

355.42

Accurate Mass

355.125

SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1/i3D,4D,5D,6D,7D

IUPAC

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

Unlabelled CAS Number

87-08-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Penicillin G; Penicillin

Purity

>95% (HPLC)