Product Code

TRC-I155402

Product Format

Neat

Molecular Formula

C22H33D5N2O5S

Molecular Weight

447.64

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

122647-32-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Ibutilide Fumarate-d5

Molecular Formula

C22H33D5N2O5S

Molecular Weight

447.64

Accurate Mass

447.28

SMILES

O=S(NC1=CC=C(C=C1)C(CCCN(CCCCCCC)C([2H])(C([2H])([2H])[2H])[2H])O)(C)=O.O=C(/C=C/C(O)=O)O.O=S(NC2=CC=C(C=C2)C(CCCN(CCCCCCC)C([2H])(C([2H])([2H])[2H])[2H])O)(C)=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+/i2*2D3,5D2;

IUPAC

N-(4-(4-((ethyl-d5)(heptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide hemifumarate

Unlabelled CAS Number

122647-32-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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