Ceftibuten-13C3

Analyte Name

Ceftibuten-13C3

Molecular Formula

13C3 C12 H14 N4 O6 S2

Molecular Weight

413.403

Accurate Mass

413.046

SMILES

Nc1ncc(s1)\C(=[13CH]\[13CH2][13C](=O)O)\C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O)O

InChI

InChI=1S/C15H14N4O6S2/c16-15-17-5-8(27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-7(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)/b6-1-/t10-,13-/m1/s1/i1+1,2+1,9+1

IUPAC

(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-5-yl)-4-hydroxycarbonyl(3,4-13C2)but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

97519-39-6

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat