Ceftiofur Impurity 8

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[[(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyldisulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Ceftiofur Impurity 8|Desfuroylceftiofur disulfide|3,3-Desfuroylceftiofur disulfide|Desfuroyl Ceftiofur Dimer (>90%)|(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}disulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]dithio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid|3,3 -(Dithiobismethylene)bis[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(Z)-methoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]|3,3 -Dithiobis(methylene)bis[(6R,7R)-7-[[[2-amino-4-thiazolyl][(Z)-methoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]

Molecular Formula	C28H28N10O10S6
Molecular Weight	856.03143 g/mol
LogP	0.0238
Topological Polar Surface Area	294.42 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	20
Rotatable Bonds	15
Exact Mass	856.03143
Monoisotopic Mass	856.03143
Heavy Atoms	54
Complexity	1906.7482

Chemical Identifiers

CAS Number	120905-00-2
SMILES	CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSSCC3=C(N4C(=O)[C@H]([C@H]4SC3)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)C(=O)O)/C6=CSC(=N6)N