Analyte Name

Cefathiamidine-d14

Molecular Formula

C19 D14 H14 N4 O6 S2

Molecular Weight

486.665

Accurate Mass

486.233

SMILES

[2H]C([2H])([2H])C([2H])(N\C(=N/C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])\SCC(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)C([2H])([2H])[2H]

InChI

InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1/i1D3,2D3,3D3,4D3,9D,10D

IUPAC

(6R,7R)-3-(acetyloxymethyl)-7-[[2-[(E)-N,N'-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

33075-00-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled; API

Product Format

Neat