Analyte Name

Methyl Raloxifene-d4 4’-(2,3,4-Tri-O-acetyl-beta-D-glycopyranuronate)

Molecular Formula

C41H39D4NO13S

Molecular Weight

793.87

Accurate Mass

793.27

SMILES

O=C(C1=CC=C(OC([2H])([2H])C([2H])([2H])N2CCCCC2)C=C1)C3=C(C4=CC=C(O[C@@H]5O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)C=C4)SC6=C3C=CC(O)=C6

InChI

InChI=1S/C41H43NO13S/c1-23(43)51-35-36(52-24(2)44)38(53-25(3)45)41(55-37(35)40(48)49-4)54-30-15-10-27(11-16-30)39-33(31-17-12-28(46)22-32(31)56-39)34(47)26-8-13-29(14-9-26)50-21-20-42-18-6-5-7-19-42/h8-17,22,35-38,41,46H,5-7,18-21H2,1-4H3/t35?,36?,37?,38?,41-/m1/s1/i20D2,21D2

IUPAC

(2S,3R,4S,5S,6S)-2-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy-1,1,2,2-d4)benzoyl)benzo[b]thiophen-2-yl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Unlabelled CAS Number

174264-51-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat