42993

Theobromine

analytical standard

• Sinónimos: 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
• Fórmula empírica (notación de Hill): C₇H₈N₄O₂
• Número de CAS: 83-67-0
• Peso molecular: 180.16
• Beilstein: 16464
• Número CE: 201-494-2
• Número MDL: MFCD00022830
• Código UNSPSC: 85151701
• ID de la sustancia en PubChem: 329756295
• NACRES: NA.24

Propiedades

• grado: analytical standard
• Nivel de calidad: 100
• Análisis: ≥99.0% (HPLC)
• caducidad: limited shelf life, expiry date on the label
• técnicas: HPLC: suitable; gas chromatography (GC): suitable
• mp: 345-350 °C
• idoneidad: conforms to structure for Infrared spectrum
• aplicaciones: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• formato: neat
• cadena 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)
• Clave InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N

Descripción

Descripción general

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.

Aplicación

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.

Acciones bioquímicas o fisiológicas

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

Productos recomendados

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Información de seguridad

• Pictogramas: GHS07
• Palabra de señalización: Warning
• Frases de peligro: H302,H319
• Consejos de prudencia: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Clasificaciones de peligro: Acute Tox. 4 Oral - Eye Irrit. 2
• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable