Raloxifene-d4 4’-beta-D-Glucuronide Lithium Salt

Analyte Name

Raloxifene-d4 4'-beta-D-Glucuronide Lithium Salt

Molecular Formula

C34 D4 H31 N O10 S . Li

Molecular Weight

660.673

Accurate Mass

660.239

SMILES

[Li].[2H]C([2H])(Oc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)cc4)C([2H])([2H])N6CCCCC6

InChI

InChI=1S/C34H35NO10S.Li.H/c36-21-8-13-24-25(18-21)46-32(20-6-11-23(12-7-20)44-34-30(40)28(38)29(39)31(45-34)33(41)42)26(24)27(37)19-4-9-22(10-5-19)43-17-16-35-14-2-1-3-15-35;;/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42);;/t28-,29-,30+,31-,34+;;/m0../s1/i16D2,17D2;;

IUPAC

lithium hydride;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat