3-Cysteinylacetaminophen Trifluoroacetic Acid Salt

Analyte Name

3-Cysteinylacetaminophen Trifluoroacetic Acid Salt

CAS Number

1331891-93-0

Molecular Formula

C11 H14 N2 O4 S . C2 H F3 O2

Molecular Weight

384.33

Accurate Mass

384.0603

SMILES

CC(=O)Nc1ccc(O)c(SC[C@H](N)C(=O)O)c1.OC(=O)C(F)(F)F

InChI

InChI=1S/C11H14N2O4S.C2HF3O2/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17;3-2(4,5)1(6)7/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17);(H,6,7)/t8-;/m0./s1

IUPAC

(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-aminopropanoic acid;2,2,2-trifluoroacetic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)