Analyte Name

Cefdinir-15N2,13C Trifluoroacetic Acid Salt Hydrate

Molecular Formula

C13¹³CH13N3¹⁵N2O5S2 • C2HF3O2 •xH2O

Molecular Weight

513.42

Accurate Mass

513.03

SMILES

C=CC1=C(C(O)=O)N2[C@]([C@@](NC(/C(C3=CS[13C]([15NH2])=[15N]3)=N\O)=O)([H])C2=O)([H])SC1.O=CC(F)(F)F.O

InChI

InChI=1S/C14H13N5O5S2.C2HF3O.H2O/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6;3-2(4,5)1-6;/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23);1H;1H2/b18-7-;;/t8-,12-;;/m1../s1/i14+1,15+1,16+1;;

IUPAC

(6R,7R)-7-((Z)-2-(2-(amino-15N)thiazol-4-yl-2-13C-3-15N)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trifluoro-1l3-ethan-1-one hydrate

Alternate CAS Number

91832-40-5

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat