T4500

Theobromine

≥98.0%

• 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: 41106305
• ID de la sustancia en PubChem: 24277679
• NACRES: NA.77

Propiedades

• Análisis: ≥98.0%
• mp: 345-350 °C
• solubilidad: H₂O: slightly soluble; aqueous base: moderately soluble; ethanol: slightly soluble
• 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
• Información sobre el gen: human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) ; rat ... Adora1(29290)

Descripción

Descripción general

Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.

Aplicación

Theobromine has been used:

• to test in behavioural assay
• as a food or dietary supplement
• as a standard for theobromine quantification in brewed coffee samples

Acciones bioquímicas o fisiológicas

Theobromine possesses antitussive action and might be useful in treating acute and chronic cough. It is a catabolic product of caffeine and shows antioxidant and prooxidant properties.

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

Características y beneficios

This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Nota de preparación

Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.

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
• Equipo de protección personal: dust mask type N95 (US), Eyeshields, Gloves