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Product Overview

Product Code

TRC-B678202

Product Format

Neat

Molecular Formula

C30 D5 H18 Br O4

Molecular Weight

532.436

Product Categories

TRC, Anticoagulants, Anticoagulants, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

28772-56-7

Documentation

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Product Information

Chemical Data

Analyte Name

Bromadiolone-d5 (Mixture of Diasteromers)

Molecular Formula

C30 D5 H18 Br O4

Molecular Weight

532.436

Accurate Mass

531.1094

SMILES

[2H]c1c([2H])c([2H])c(C(CC(O)c2ccc(cc2)c3ccc(Br)cc3)C4=C(O)c5ccccc5OC4=O)c([2H])c1[2H]

InChI

InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2/i1D,2D,3D,6D,7D

IUPAC

3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-(2,3,4,5,6-pentadeuteriophenyl)propyl]-4-hydroxychromen-2-one

Unlabelled CAS Number

28772-56-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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Chemical Data

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