Products 58460-45-0

CAS 58460-45-0 appears in our catalog under these names: Cefacetrile Impurity 3, Desacetoxy Cefacetrile. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Structural formula: {0} (CAS {1})

(6R,7R)-7-[(2-cyanoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 58460-45-0) is a chemical compound with the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. IUPAC name: (6R,7R)-7-[(2-cyanoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. InChIKey: QBQBMONZPBOWQW-GMSGAONNSA-N.

Identity
Molecular formulaC11H11N3O4S
Molecular weight281.29 g/mol
IUPAC name(6R,7R)-7-[(2-cyanoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyQBQBMONZPBOWQW-GMSGAONNSA-N
SMILESCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O

Computed by PubChem (NCBI)