6-Raloxifene-beta-D-glucopyranoside-d4

Analyte Name

6-Raloxifene-beta-D-glucopyranoside-d4

Molecular Formula

C34H33D4NO9S

Molecular Weight

639.75

Accurate Mass

639.24

SMILES

O=C(C1=C(SC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=CC=C21)C4=CC=C(C=C4)O)C5=CC=C(C=C5)OC([2H])(C([2H])(N6CCCCC6)[2H])[2H]

InChI

InChI=1S/C34H37NO9S/c36-19-26-30(39)31(40)32(41)34(44-26)43-24-12-13-25-27(18-24)45-33(21-4-8-22(37)9-5-21)28(25)29(38)20-6-10-23(11-7-20)42-17-16-35-14-2-1-3-15-35/h4-13,18,26,30-32,34,36-37,39-41H,1-3,14-17,19H2/t26-,30-,31+,32-,34-/m1/s1/i16D2,17D2

IUPAC

(2-(4-hydroxyphenyl)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy-1,1,2,2-d4)phenyl)methanone

Alternate CAS Number

2021255-70-7

Unlabelled CAS Number

334758-18-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat