Amoxicillin Diketopiperazine

Analyte Name

(4S)-2-[5-(4-Hydroxyphenyl)-3,6-dioxopiperazin-2-yl]-5,5-dimethylthiazolidine-4-carboxylic Acid (Amoxicillin Diketopiperazines)

CAS Number

94659-47-9

Molecular Formula

C16 H19 N3 O5 S

Molecular Weight

365.40

Accurate Mass

365.1045

SMILES

CC1(C)SC(N[C@H]1C(=O)O)C2NC(=O)C(NC2=O)c3ccc(O)cc3

InChI

InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)/t9?,10?,11-,14?/m0/s1

IUPAC

(4S)-2-[5-(4-hydroxyphenyl)-3,6-dioxopiperazin-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Amoxicillin Trihydrate

Purity

>95% (HPLC)