MCO (pharmaceutical)

(6R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: MCO (pharmaceutical)|KST-1A6960|(6R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6r)-7-{[hydroxy(phenyl)acetyl]amino}-3-{[(1-oxidopyridin-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|MCO|(6R,7R)-7-((2R)-2-Hydroxy-2-phenylacetamido)-3-(pyrid-2-yl-N-oxide)thiomethylceph-3-em 4-carboxylic acid

Molecular Formula	C21H19N3O6S2
Molecular Weight	473.07153 g/mol
LogP	0.1
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	473.07153
Monoisotopic Mass	473.07153
Heavy Atoms	32
Complexity	787.0

Chemical Identifiers

CAS Number	6345-42-2
SMILES	C1C(=C(N2[C@H](S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O)CSC4=CC=CC=[N+]4[O-]
InChIKey	AKLKAQCEKYIVSJ-MKJPBZQASA-N