Cefalonium Hydrate

Analyte Name

Cefalonium x-hydrate

Molecular Formula

C20 H18 N4 O5 S2 . x H2 O

Molecular Weight

458.51

Accurate Mass

458.0719

SMILES

NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)[O-])cc1

InChI

InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1

IUPAC

(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;x-hydrate

Alternate CAS Number

Anhydrous: 5575-21-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Cefalonium Hydrate

Purity

>95% (HPLC)