Cephapirin Benzathine

Analyte Name

Cephapirin Benzathine

CAS Number

97468-37-6

Molecular Formula

2 C17 H17 N3 O6 S2 . C16 H20 N2

Molecular Weight

1087.27

Accurate Mass

1086.2744

SMILES

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O.CC(=O)OCC4=C(N5[C@H](SC4)[C@H](NC(=O)CSc6ccncc6)C5=O)C(=O)O.C(CNCc7ccccc7)NCc8ccccc8

InChI

InChI=1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t2*13-,16-;/m11./s1

IUPAC

(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Cephapirin Sodium