T4500

Theobromin

≥98.0%

• 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: 41106305
• PubChem Substanz-ID: 24277679
• NACRES: NA.77

Eigenschaften

• Assay: ≥98.0%
• mp (Schmelzpunkt): 345-350 °C
• Löslichkeit: H₂O: slightly soluble; aqueous base: moderately soluble; ethanol: slightly soluble
• 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
• Angaben zum Gen: human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) ; rat ... Adora1(29290)

Beschreibung

Allgemeine Beschreibung

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

Anwendung

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

Biochem./physiol. Wirkung

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.

Leistungsmerkmale und Vorteile

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Angaben zur Herstellung

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

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
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves