Analyte Name

(E)-Ceftibuten Dihydrate

CAS Number

1428117-81-0

Molecular Formula

C15 H14 N4 O6 S2 . 2 H2 O

Molecular Weight

446.455

Accurate Mass

446.057

SMILES

O.O.Nc1nc(cs1)\C(=C/CC(=O)O)\C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O)O

InChI

InChI=1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);2*1H2/b6-1+;;/t10-,13-;;/m1../s1

IUPAC

(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat