Sodium cephacetrile

PubChem Notes:

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-;/m0./s1/fC13H12N3O6S.Na/h15H;/q-1;m

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

Names:
    Ba 36278A
    Cefacetrile sodium
    Celospor
    Celtol Ampullen
    Cephacetrile sodium [USAN]
    Cephacetrile sodium
    Cephacetrile
    Ciba 36278-Ba
    Sodium cefacetril
    Sodium cephacetrile
    sodium (6S,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Registries:
    PubChem CID 31725
    PubChem ID 173783