(E)-4-Hydroxy Tamoxifen O-beta-D-Glucuronide

Analyte Name

(E)-4-Hydroxy Tamoxifen O-beta-D-Glucuronide

CAS Number

152764-51-7

Molecular Formula

C32H37NO8

Molecular Weight

563.64

Accurate Mass

563.2519

SMILES

CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)\c4ccccc4

InChI

InChI=1S/C32H37NO8/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)39-19-18-33(2)3)22-12-16-24(17-13-22)40-32-29(36)27(34)28(35)30(41-32)31(37)38/h5-17,27-30,32,34-36H,4,18-19H2,1-3H3,(H,37,38)/b26-25+/t27-,28-,29+,30-,32+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Tamoxifen