CAS 5967-84-0: 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, hydrate (1:1)

Description: 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, hydrate (1:1), commonly known as theobromine, is a methylxanthine compound with a molecular formula that reflects its purine structure. It is characterized by its white crystalline appearance and is soluble in water, particularly in its hydrated form. The compound exhibits a bitter taste and is known for its stimulant properties, similar to caffeine, though it is less potent. Theobromine has various biological effects, including vasodilation, diuresis, and muscle relaxation, making it of interest in both food science and pharmacology. It is primarily found in cacao beans and is a key component of chocolate. The substance has a melting point that varies depending on its hydration state and is stable under normal conditions. Its CAS number, 5967-84-0, is used for identification in chemical databases. Theobromine's role in human health, particularly its effects on cardiovascular health and potential therapeutic applications, continues to be an area of research.

Formula: C₇H₈N₄O₂·H₂O

InChI: InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2

InChI key: InChIKey=INQSMEFCAIHTJG-UHFFFAOYSA-N

SMILES: O=C1C=2NC=NC2N(C(=O)N1C)C.O

Synonyms:

• 1,3-Dimethylxanthine monohydrate
• 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (1:1)
• 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, monohydrate
• 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, hydrate (1:1)
• Theophyline monohydrate
• Theophylline hydrous
• Theopylline monohydrate
• Theophylline, monohydrate

Theophylline monohydrate, 99%

CAS: 5967-84-0

Theophylline monohydrate is a methylxanthine drug used in therapy for respiratory diseases such as COPD …

• Formula: C₇H₈N₄O₂•H₂O
• Purity: 99%
• Color and Shape: Powder, White
• Molecular weight: 198.18 (180.16anhy)

Theophylline monohydrate

CAS: 5967-84-0

Theophylline monohydrate (Quibron) appears to inhibit phosphodiesterase and prostaglandin production, regulate calcium flux and intracellular …

• Formula: C₇H₈N₄O₂·H₂O
• Purity: 99.78%
• Color and Shape: Solid
• Molecular weight: 198.18

Theophylline monohydrate

CAS: 5967-84-0

• Formula: C₇H₁₀N₄O₃
• Purity: 95%
• Molecular weight: 198.1793

Theophylline monohydrate

CAS: 5967-84-0

• Purity: 99.79%
• Molecular weight: 198.18g/mol

Theophylline monohydrate

CAS: 5967-84-0

Please enquire for more information about Theophylline monohydrate including the price, delivery time and more …

• Formula: C₇H₁₀N₄O₃
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 198.18 g/mol