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Cephacetrile A derivative of 7-aminocephalosporanic acid.
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pre_formula( "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", "jqp044/443934.html" ); ?>
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
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Registries:
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PubChem CID 443934
PubChem ID 583081
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