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Product Overview

Product Code

TRC-P276501

CAS Number

1185995-18-9

Product Format

Neat

Molecular Formula

C13 D5 H13 N4 O3

Molecular Weight

283.34

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

6493-05-6

Documentation

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Product Information

Chemical Data

Analyte Name

Pentoxifylline-4',4',6',6',6'-d5

CAS Number

1185995-18-9

Molecular Formula

C13 D5 H13 N4 O3

Molecular Weight

283.34

Accurate Mass

283.1693

SMILES

[2H]C([2H])([2H])C(=O)C([2H])([2H])CCCN1C(=O)N(C)c2ncn(C)c2C1=O

InChI

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i1D3,6D2

IUPAC

3,7-dimethyl-1-(4,4,6,6,6-pentadeuterio-5-oxohexyl)purine-2,6-dione

Unlabelled CAS Number

6493-05-6

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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