Cephacetrile sodium

Cephacetrile A derivative of 7-aminocephalosporanic acid.

Molecular Formula: C₁₃H₁₂N₃NaO₆S

InChI: InChI=1/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/fC13H12N3O6S.Na/h15H;/q-1;m

InChIKey: InChIKey=GXCRUTWHNMMJEK-IGZZOXQODN
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]

Names:
    Cefacetrile sodium
    Cephacetrile sodium
    C12691
    sodium (6R,7S)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    23239-41-0

Registries:
    PubChem CID 443934
    PubChem ID 583081