Ceftriaxone Sodium

Molecular Weight (g/mol)

1323.2

Molecular Formula

C36H46N16Na4O21S6

InChI

InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1

InChIKey

PMRZKYOXTPBIQF-MAODNAKNSA-J

SMILES

CN1[N-]C(=O)C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-].CN1[N-]C(=O)C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

IUPAC Name

tetrasodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-2,4-diaza-1-azanidacyclohex-3-en-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrate

Exact Mass (Da)

1322.0938467

Monoisotopic Mass (Da)

1322.0938467