T4500

Theobromine

≥98.0%

• Sinonimo/i: 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
• Formula empirica (notazione di Hill): C₇H₈N₄O₂
• Numero CAS: 83-67-0
• Peso molecolare: 180.16
• Beilstein: 16464
• Numero CE: 201-494-2
• Numero MDL: MFCD00022830
• Codice UNSPSC: 41106305
• ID PubChem: 24277679
• NACRES: NA.77

Proprietà

• Saggio: ≥98.0%
• Punto di fusione: 345-350 °C
• Solubilità: H₂O: slightly soluble; aqueous base: moderately soluble; ethanol: slightly soluble
• Stringa SMILE: [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); YAPQBXQYLJRXSA-UHFFFAOYSA-N
• Informazioni sul gene: human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) ; rat ... Adora1(29290)

Descrizione

Descrizione generale

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

Applicazioni

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

Azioni biochim/fisiol

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.

Caratteristiche e vantaggi

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Nota sulla preparazione

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

Informazioni sulla sicurezza

• Pittogrammi: GHS07
• Avvertenze: Warning
• Indicazioni di pericolo: H302,H319
• Consigli di prudenza: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Classi di pericolo: Acute Tox. 4 Oral - Eye Irrit. 2
• Codice della classe di stoccaggio: 11 - Combustible Solids
• Classe di pericolosità dell'acqua (WGK): WGK 1
• Punto d’infiammabilità (°F): Not applicable
• Punto d’infiammabilità (°C): Not applicable
• Dispositivi di protezione individuale: dust mask type N95 (US), Eyeshields, Gloves