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About This Item
Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
Molecular Weight:
180.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
16464
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)
SMILES string
[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O
InChI key
YAPQBXQYLJRXSA-UHFFFAOYSA-N
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
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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.
signalword
Warning
hcodes
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
Regulatory Information
涉药品监管产品
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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)
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)
M U Eteng et al.
Plant foods for human nutrition (Dordrecht, Netherlands), 51(3), 231-243 (1997-01-01)
Caffeine and theobromine are purine alkaloids widely consumed as stimulants and snacks in coffee and cocoa based foods and most often as part of ingredients in drugs. Man has enjoyed a long history of consumption of caffeine and theobromine. Recent
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
Hendrik Jan Smit
Handbook of experimental pharmacology, (200)(200), 201-234 (2010-09-23)
The effects of theobromine in man are underresearched, possibly owing to the assumption that it is behaviourally inert. Toxicology research in animals may appear to provide alarming results, but these cannot be extrapolated to humans for a number of reasons.
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