Analyte Name

Desacetoxy Cefacetrile

CAS Number

58460-45-0

Molecular Formula

C11 H11 N3 O4 S

Molecular Weight

281.288

Accurate Mass

281.047

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(=O)O

InChI

InChI=1S/C11H11N3O4S/c1-5-4-19-10-7(13-6(15)2-3-12)9(16)14(10)8(5)11(17)18/h7,10H,2,4H2,1H3,(H,13,15)(H,17,18)/t7-,10-/m1/s1

IUPAC

(6R,7R)-7-[(2-cyanoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat