Analyte Name

Cefixime-13C3-15N2

Molecular Formula

C13¹³C3H15N3¹⁵N2O7S2

Molecular Weight

458.41

Accurate Mass

458.05

SMILES

OC(C1=C(C=C)CS[C@@]2([H])N1C([C@]2(NC(/C(C3=CS[13C]([15NH2])=[15N]3)=N\O[13CH2][13C](O)=O)=O)[H])=O)=O

InChI

InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1/i3+1,8+1,16+1,17+1,18+1

IUPAC

(6R,7R)-7-((Z)-2-(2-(amino-15N)thiazol-4-yl-2-13C-3-15N)-2-(((carboxy-13C)methoxy-13C)imino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

79350-37-1

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat