Analyte Name

N-Nitroso Amoxicillin

Molecular Formula

C16H18N4O6S

Molecular Weight

394.4

Accurate Mass

394.09

SMILES

OC([C@@H]1N2[C@@]([H])([C@H](N(C([C@H](N)C3=CC=C(O)C=C3)=O)N=O)C2=O)SC1(C)C)=O

InChI

InChI=1S/C16H18N4O6S/c1-16(2)11(15(24)25)19-13(23)10(14(19)27-16)20(18-26)12(22)9(17)7-3-5-8(21)6-4-7/h3-6,9-11,14,21H,17H2,1-2H3,(H,24,25)/t9-,10-,11+,14-/m1/s1

IUPAC

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

Alternate CAS Number

26787-78-0

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat