Analyte Name

Cefcapene Pivoxil-d9

Molecular Formula

C23 D9 H20 N5 O8 S2

Molecular Weight

576.691

Accurate Mass

576.202

SMILES

[2H]C([2H])([2H])C(C(=O)OCOC(=O)C1=C(COC(=O)N)CS[C@@H]2[C@H](NC(=O)\C(=C/CC)\c3csc(N)n3)C(=O)N12)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C23H29N5O8S2/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29)/b12-6-/t14-,18-/m1/s1/i2D3,3D3,4D3

IUPAC

[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanoyl]oxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Unlabelled CAS Number

105889-45-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat