[6R-[6Alpha,7Beta(R*)]]-7-[(Aminophenylacetyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic Acid

Analyte Name

Isocephalexin

CAS Number

67308-21-8

Molecular Formula

C16 H17 N3 O4 S

Molecular Weight

347.39

Accurate Mass

347.094

SMILES

N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C)C(N2C1=O)C(=O)O)c3ccccc3

InChI

InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-12,15H,1,7,17H2,(H,18,20)(H,22,23)/t10-,11-,12?,15-/m1/s1

IUPAC

(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Alternate CAS Number

Sodium salt: 37050-97-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Cefaclor

Purity

>95% (HPLC)