Pyridine-2-azo-4-dimethylaniline cephalosporin

(6R,7R)-3-[[2-[[4-(dimethylamino)phenyl]diazenyl]pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Also Known As: PADAC|Pyridine-2-azo-4-dimethylaniline cephalosporin|pyridine-2-azo-4-dimethylanilinecephalosporin|(6R,7R)-3-[[2-[[4-(dimethylamino)phenyl]diazenyl]pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|(6R,7R)-3-[[2-(4-dimethylaminophenyl)diazenylpyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|Pyridinium, 1-((2-carboxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-2-((4-(dimethylamino)phenyl)azo)-, hydroxide, inner salt, (6R-trans)-|(6R,7R)-3-[(2-{(E)-[4-(Dimethylamino)phenyl]diazenyl}pyridin-1-ium-1-yl)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|(6R,7R)-3-[[2-[(4-dimethylaminophenyl)diazenyl]pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|1-[[(6R,7R)-2-Carboxylato-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-2-[4-(dimethylamino)phenylazo]pyridinium|1-{[(6R,7R)-2-carboxylato-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}pyridin-1-ium

Molecular Formula	C27H26N6O4S2
Molecular Weight	562.1457 g/mol
LogP	4.1
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	562.1457
Monoisotopic Mass	562.1457
Heavy Atoms	39
Complexity	993.0

Chemical Identifiers

CAS Number	77449-91-3
SMILES	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=[N+]2CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CS5)SC3)C(=O)[O-]
InChIKey	FCHBECOAGZMTFE-ZEQKJWHPSA-N