Raloxifene Dimer-d8

Analyte Name

Raloxifene Dimer-d8

Molecular Formula

C₅₆H₄₄D₈N₂O₈S₂

Molecular Weight

953.2

Accurate Mass

952.37

SMILES

OC1=CC=C(C(SC2=C3C=CC(O)=C2C4=C(C=CC5=C4SC(C6=CC=C(C=C6)O)=C5C(C7=CC=C(C=C7)OC([2H])(C([2H])(N8CCCCC8)[2H])[2H])=O)O)=C3C(C9=CC=C(C=C9)OC([2H])(C([2H])(N%10CCCCC%10)[2H])[2H])=O)C=C1

InChI

InChI=1S/C56H52N2O8S2/c59-39-15-7-37(8-16-39)53-47(51(63)35-11-19-41(20-12-35)65-33-31-57-27-3-1-4-28-57)43-23-25-45(61)49(55(43)67-53)50-46(62)26-24-44-48(54(68-56(44)50)38-9-17-40(60)18-10-38)52(64)36-13-21-42(22-14-36)66-34-32-58-29-5-2-6-30-58/h7-26,59-62H,1-6,27-34H2/i31D2,32D2,33D2,34D2

IUPAC

(6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-[7,7'-bibenzo[b]thiophene]-3,3'-diyl)bis((4-(2-(piperidin-1-yl)ethoxy-1,1,2,2-d4)phenyl)methanone)

Unlabelled CAS Number

618902-12-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat