Analyte Name

Cefepime-D3,13C Sulfate

Molecular Formula

13C C18 D3 H22 N6 O5 S2 . H2 S O4

Molecular Weight

583.659

Accurate Mass

583.122

SMILES

[2H][13C]([2H])([2H])O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)\c4csc(N)n4.OS(=O)(=O)O

InChI

InChI=1S/C19H24N6O5S2.H2O4S/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;1-5(2,3)4/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);(H2,1,2,3,4)/p+1/b23-12-;/t13-,17-;/m1./s1/i2+1D3;

IUPAC

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuterio(113C)methoxyimino)acetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid

Unlabelled CAS Number

107648-78-2

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat