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Product Overview

Product Code

TRC-T547502

CAS Number

1246833-71-5

Product Format

Neat

Molecular Formula

C26 D6 H22 Cl N O . C6 H8 O7

Molecular Weight

604.12

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

89778-27-8

Documentation

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Product Information

Chemical Data

Analyte Name

Toremifene-d6 Citrate

CAS Number

1246833-71-5

Molecular Formula

C26 D6 H22 Cl N O . C6 H8 O7

Molecular Weight

604.12

Accurate Mass

603.251

SMILES

[2H]C([2H])([2H])N(CCOc1ccc(cc1)\C(=C(\CCCl)/c2ccccc2)\c3ccccc3)C([2H])([2H])[2H].OC(=O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;/i1D3,2D3;

IUPAC

2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-bis(trideuteriomethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

Unlabelled CAS Number

89778-27-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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