Analyte Name

Ceftriaxone sodium hemiheptahydrate

CAS Number

104376-79-6

Molecular Formula

2C18H16N8O7S3.7H2O.4Na

Molecular Weight

1323.1941

Accurate Mass

1322.0938

SMILES

O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC3=NC(=O)C(=NN3C)[O-])\c4csc(N)n4.CO\N=C(/C(=O)N[C@H]5[C@H]6SCC(=C(N6C5=O)C(=O)[O-])CSC7=NC(=O)C(=NN7C)[O-])\c8csc(N)n8

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,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1

IUPAC

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

Alternate CAS Number

Anhydrous free base: 73384-59-5

Storage Temperature

-18°C

Shipping Temperature

+20°C

Country of Origin

GERMANY

Product Format

Neat