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Key Documents

42993

Supelco

Theobromine

analytical standard

Sinonimo/i:

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

Formula empirica (notazione di Hill):
C7H8N4O2
Numero CAS:
Peso molecolare:
180.16
Beilstein:
16464
Numero CE:
Numero MDL:
Codice UNSPSC:
85151701
ID PubChem:
NACRES:
NA.24

Grado

analytical standard

Livello qualitativo

Saggio

≥99.0% (HPLC)

Durata

limited shelf life, expiry date on the label

tecniche

HPLC: suitable
gas chromatography (GC): suitable

Punto di fusione

345-350 °C

Compatibilità

conforms to structure for Infrared spectrum

applicazioni

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Formato

neat

Stringa SMILE

[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)
YAPQBXQYLJRXSA-UHFFFAOYSA-N

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Descrizione generale

Theobromine is an active bronchodilator drug ingredient used in the treatment of acute and chronic asthma. It is a naturally present alkaloid in a wide variety of foods and beverages, such as coffee, cocoa, tea, yerba mate and energizing drinks.

Applicazioni

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Theobromine may be used as a reference standard for the determination of theobromine metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents by high-performance liquid chromatography and diode array detection (HPLC-DAD) method.

Azioni biochim/fisiol

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

Prodotti consigliati

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pittogrammi

Exclamation mark

Avvertenze

Warning

Indicazioni di pericolo

Classi di pericolo

Acute Tox. 4 Oral - Eye Irrit. 2

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 1

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable


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Certificati d'analisi (COA)

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Theobromine, caffeine, and theophylline metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents.
Martinez-Lopez S.
Food Research International, 63, 446-455 (2014)
Marcia S Bispo et al.
Journal of chromatographic science, 40(1), 45-48 (2002-03-02)
This work relates the development of an analytical methodology to simultaneously determine three methylxanthines (caffeine, theobromine, and theophylline) in beverages and urine samples based on reversed-phase high-performance liquid chromatography. Separation is made with a Bondesil C18 column using methanol-water-acetic acid
Rita Petrucci et al.
Biochimica et biophysica acta. General subjects, 1862(8), 1781-1789 (2018-05-16)
Antioxidant properties have been recently suggested for caffeine that seems showing protective effects against damages caused by oxidative stress. In particular, a HO scavenging activity has been ascribed to caffeine. Even if the oxidation of caffeine has been widely studied
Anne-Laure Gassner et al.
Journal of chromatography. A, 1353, 121-130 (2014-06-14)
Procedures for estimating the measurement uncertainty (MU) of the concentration of a given analyte in a sample are of major concern for analytical chemists. Unfortunately, it is still unclear how and why MU should be assessed. While several possibilities exist
Felix Grases et al.
PloS one, 9(10), e111184-e111184 (2014-10-22)
To assess the capacity of methylxanthines (caffeine, theophylline, theobromine and paraxanthine) to inhibit uric acid crystallization, and to evaluate their potential application in the treatment of uric acid nephrolithiasis. The ability of methylxathines to inhibit uric acid nucleation was assayed

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