Ibutilide Fumarate

Analyte Name

Ibutilide Fumarate

CAS Number

122647-32-9

Molecular Formula

2 C20 H36 N2 O3 S . C4 H4 O4

Molecular Weight

885.22

Accurate Mass

884.5003

SMILES

CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1.CCCCCCCN(CC)CCCC(O)c2ccc(NS(=O)(=O)C)cc2.OC(=O)\C=C\C(=O)O

InChI

InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

IUPAC

(E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

Alternate CAS Number

Free base: 122647-31-8

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Ibutilide

Purity

>95% (HPLC)