Theobromine

• Catalog No.: T4500
• CAS Number: 83-67-0
• M. F.: C7H8N4O2
• M. W.: 180.16402
• Purity: ≥99.0%

SYNONYMS

• IUPAC name: 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• IUPAC Traditional name: theobromine
• Synonyms: 3,7-Dimethylxanthine; 2,6-Dihydroxy-3,7-dimethylpurine

DATABASE IDS

• Beilstein Number: 16464
• PubChem SID: 24277679
• EC Number: 201-494-2
• MDL Number: MFCD00022830
• CAS Number: 83-67-0

PROPERTIES

• Purity: ≥99.0%
• Gene Information: human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)rat ... Adora1(29290)
• Apperance: white solid
• Melting Point: 345-350 °C
• Solubility: H2O: slightly soluble
• Solubility: aqueous base: moderately soluble
• Solubility: ethanol: slightly soluble
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• European Hazard Symbols: Harmful (Xn)
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Risk Statements: 22
• RTECS: XH2275000
• German water hazard class: 1

DETAILS

Description (English)

Biochem/physiol Actions
Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.