Ampicillin-d5 (Mixture of Diastereomers)

Analyte Name

Ampicillin phenyl-d5 (mixture of diastereomers)

CAS Number

1426173-65-0

Molecular Formula

C16 D5 H14 N3 O4 S

Molecular Weight

354.44

Accurate Mass

354.141

SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9?,10-,11+,14-/m1/s1/i3D,4D,5D,6D,7D

IUPAC

(2S,5R,6R)-6-[[2-amino-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

Unlabelled CAS Number

69-53-4

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

API Family

Ampicillin