42993

Theobromin

analytical standard

• Synonym(e): 2,6-Dihydroxy-3,7-dimethyl-purin, 3,7-Dihydro-3,7-dimethyl-1H-purin-2,6-dion, 3,7-Dimethyl-xanthin
• Empirische Formel (Hill-System): C₇H₈N₄O₂
• CAS-Nummer: 83-67-0
• Molekulargewicht: 180.16
• Beilstein: 16464
• EG-Nummer: 201-494-2
• MDL-Nummer: MFCD00022830
• UNSPSC-Code: 85151701
• PubChem Substanz-ID: 329756295
• NACRES: NA.24

Eigenschaften

• Qualität: analytical standard
• Qualitätsniveau: 100
• Assay: ≥99.0% (HPLC)
• Haltbarkeit: limited shelf life, expiry date on the label
• Methode(n): HPLC: suitable; gas chromatography (GC): suitable
• mp (Schmelzpunkt): 345-350 °C
• Eignung: conforms to structure for Infrared spectrum
• Anwendung(en): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Format: neat
• 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)
• InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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.

Biochem./physiol. Wirkung

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

Empfohlene Produkte

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Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H302,H319
• P-Sätze: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Gefahreneinstufungen: Acute Tox. 4 Oral - Eye Irrit. 2
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 1
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable