Phenethicillin-d5 Sodium Salt

Analyte Name

Phenethicillin-d5 Sodium Salt

Molecular Formula

C17 D5 H14 N2 Na O5 S

Molecular Weight

391.429

Accurate Mass

391.123

SMILES

[2H]c1c([2H])c([2H])c(OC(C)C(=O)N[C@H]2C3SC(C)(C)[C@@H](N3C2=O)C(=O)O[Na])c([2H])c1[2H]

InChI

InChI=1S/C17H20N2O5S.Na/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12+,15?;/m1./s1/i4D,5D,6D,7D,8D;

IUPAC

[(2S,6R)-3,3-dimethyl-7-oxo-6-[2-(2,3,4,5,6-pentadeuteriophenoxy)propanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxysodium

Unlabelled CAS Number

30302-52-4

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat