Cefoxitin-d3 Sodium Salt

Analyte Name

Cefoxitin-d3 Sodium Salt

CAS Number

1316289-46-9

Molecular Formula

C16 D3 H13 N3 O7 S2 . Na

Molecular Weight

452.452

Accurate Mass

452.052

SMILES

[Na+].[2H]C([2H])([2H])O[C@]1(N=C([O-])Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N

InChI

InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1/i1D3;

IUPAC

sodium;N-[(6R,7S)-3-(carbamoyloxymethyl)-2-carboxy-8-oxo-7-(trideuteriomethoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-thiophen-2-ylethanimidate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat