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: C₇H₁₀N₄O₃

InChI: InChI=1/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=C1C2=C(N(C)C(=O)N1C)N=CN2.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
• Theophyllinemonohydrate,99%
• 1,3-Dimethyl-7H-purine-2,6-dione hydrate
• 1,3-Dimethyl-1H-purine-2,6(3H,7H)-dione·hydrate

Theophylline monohydrate, 99%

CAS: 5967-84-0

Theophylline monohydrate is a methylxanthine drug used in therapy for respiratory diseases such as COPD and asthma This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The origi

Formula: C₇H₈N₄O₂•H₂O

Purity: 99%

Color and Shape: White, Powder

Molecular weight: 198.18 (180.16anhy)

Ref: 02-A15997

Theophylline monohydrate

CAS: 5967-84-0

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

Formula: C₇H₈N₄O₂·H₂O

Purity: 99.78%

Color and Shape: Solid

Molecular weight: 198.18

Ref: TM-T1083L

Theophylline monohydrate

CAS: 5967-84-0

Formula: C₇H₁₀N₄O₃

Purity: 99.78%

Molecular weight: 198.1793

Ref: IN-DA003URP

Theophylline monohydrate

CAS: 5967-84-0

Theophylline monohydrate

Formula: C₇H₈N₄O₂·H₂O

Purity: ≥98%

Molecular weight: 198.18

Ref: 54-BUP17822

Theophylline monohydrate

Controlled Product

CAS: 5967-84-0

Theophylline is a water-soluble drug that belongs to the group of xanthine derivatives. It is used in the treatment of respiratory diseases such as asthma, chronic bronchitis and emphysema. Theophylline is absorbed by the lungs and enters the bloodstream, where it is transported to cells throughout the body. Theophylline has a rapid onset of action, with maximal response occurring within one hour after administration. The metabolism of Theophylline occurs mainly in the liver and involves three major pathways: hydrolysis by esterases or glucuronidases, oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or conjugation with glucuronic acid. Theophylline can be detected in plasma for up to 48 hours after an oral dose. It can also be measured in saliva and urine for up to two days after an oral dose.

Formula: C₇H₁₀N₄O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 198.18 g/mol

Ref: 3D-FAA96784