Cephacetrile sodium

About This Item

Molecular Formula	C₁₃H₁₂N₃NaO₆S
CAS Number	23239-41-0

FC-0347563

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Properties

Chemical Identifiers

IUPAC Name	sodium;(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]
InChI Key	GXCRUTWHNMMJEK-WYUVZMMLSA-M
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

Safety Information

Hazard Class

Danger

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.