Rocephin

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Rocephin|(E)-Ceftriaxone|CEFTRIAXONE SODIUM|AC1L1BQJ|(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C18H18N8O7S3
Molecular Weight	554.0461 g/mol
LogP	-1.61
Topological Polar Surface Area	214.96 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	554.0461
Heavy Atoms	36
Complexity	1428.1

Chemical Identifiers

CAS Number	92143-31-2
SMILES	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O