Cefacetrile Sodium

Analyte Name

Cefacetrile Sodium

CAS Number

23239-41-0

Molecular Formula

C13 H12 N3 O6 S . Na

Molecular Weight

361.31

Accurate Mass

361.0345

SMILES

[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(=O)[O-]

InChI

InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1

IUPAC

sodium;(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Alternate CAS Number

Free base: 10206-21-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

Purity

>95% (HPLC)