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T0700000

Theobromine

European Pharmacopoeia (EP) Reference Standard

Synonym(s):

2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
83-67-0
Molecular Weight:
180.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329826614
MDL number:
MFCD00022830
Beilstein/REAXYS Number:
16464
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grade

pharmaceutical primary standard

API family

theobromine

manufacturer/tradename

EDQM

mp

345-350 °C

application(s)

pharmaceutical (small molecule)

format

neat

storage temp.

2-8°C

SMILES string

[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

InChI key

YAPQBXQYLJRXSA-UHFFFAOYSA-N

General description

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.For further information and support please go to the website of the issuing Pharmacopoeia.

Application

Theobromine EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.

Biochem/physiol Actions

Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

Packaging

The product is delivered as supplied by the issuing Pharmacopoeia. For the current unit quantity, please visit the EDQM reference substance catalogue.

Other Notes

Sales restrictions may apply.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

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Articles

HPLC Analysis of Xanthines on Purospher® STAR RP-18 endcapped

Separation of Hypoxanthine, ≥99.0%; Xanthine, ≥99%; 7-Methylxanthine, ≥98.0% (HPLC); 3-Methylxanthine; 1-Methylxanthine, ≥97.0% (HPLC); Theobromine, ≥98.0%; 1,7-Dimethylxanthine, ~98%, solid; Theophylline, anhydrous, ≥99%, powder; Specimen capsules, microporous, average pore diameter 120 μm

Analysis of caffeine, theobromine and theophylline in coffee by near infrared spectroscopy (NIRS) compared to high-performance liquid chromatography (HPLC) coupled to mass spectrometry.
Huck W C, et al.
Analytica Chimica Acta, 538(1-2), 195-203 (2005)
Determination of theobromine, theophylline and caffeine in cocoa samples by a high-performance liquid chromatographic method with on-line sample cleanup in a switching-column system.
Brunetto R D M, et al.
Food Chemistry, 100(2), 459-467 (2007)
Malen Massot-Cladera et al.
The British journal of nutrition, 112(12), 1944-1954 (2014-10-28)
A diet containing 10% cocoa, a rich source of polyphenols and fibre, is able to modify intestinal immune status as well as microbiota composition. The present study was aimed at investigating whether cocoa flavonoid content is uniquely responsible for these
View All Related Papers

Global Trade Item Number

SKUGTIN
T070000004061833801109