42993

Theobromine

analytical standard

• Synonim(y): 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
• Wzór empiryczny (zapis Hilla): C₇H₈N₄O₂
• Numer CAS: 83-67-0
• Masa cząsteczkowa: 180.16
• Beilstein: 16464
• Numer WE: 201-494-2
• Numer MDL: MFCD00022830
• Kod UNSPSC: 85151701
• Identyfikator substancji w PubChem: 329756295
• NACRES: NA.24

Właściwości

• klasa czystości: analytical standard
• Poziom jakości: 100
• Próba: ≥99.0% (HPLC)
• okres trwałości: limited shelf life, expiry date on the label
• metody: HPLC: suitable; gas chromatography (GC): suitable
• mp: 345-350 °C
• przydatność: conforms to structure for Infrared spectrum
• Zastosowanie: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• ciąg SMILES: [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)
• Klucz InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N

Opis

Opis ogólny

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.

Zastosowanie

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.

Działania biochem./fizjol.

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

Polecane produkty

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.

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Informacja o środkach bezpieczeństwa

• Piktogramy: GHS07
• Hasło ostrzegawcze: Warning
• Zwroty wskazujące rodzaj zagrożenia: H302,H319
• Zwroty wskazujące środki ostrożności: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Klasyfikacja zagrożeń: Acute Tox. 4 Oral - Eye Irrit. 2
• Kod klasy składowania: 11 - Combustible Solids
• Klasa zagrożenia wodnego (WGK): WGK 1
• Temperatura zapłonu (°F): Not applicable
• Temperatura zapłonu (°C): Not applicable