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Product Overview

Product Code

TRC-R100022

Product Format

Neat

Molecular Formula

C34 D4 H31 N O10 S

Molecular Weight

653.732

API Family

Raloxifene Hydrochloride

Product Categories

Estrogen Receptors, TRC, Alzheimer's, Stress and Anxiety, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

182507-22-8

Documentation

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Product Information

Chemical Data

Analyte Name

Raloxifene-d4 4’-Glucuronide

Molecular Formula

C34 D4 H31 N O10 S

Molecular Weight

653.732

Accurate Mass

653.223

SMILES

[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/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

(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

Unlabelled CAS Number

182507-22-8

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Raloxifene Hydrochloride

Product Description

A labelled metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist.

References: Dodge, J., et al.: Bioorg. Med. Chem. Lett., 7, 993

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