CAS 4921-49-7: 8-Chlorocaffeine

Description: 8-Chlorocaffeine, with the CAS number 4921-49-7, is a chlorinated derivative of caffeine, a well-known stimulant found in coffee and tea. This compound features a chlorine atom substituted at the 8-position of the caffeine molecule, which alters its chemical properties and biological activity. It typically appears as a white to off-white crystalline solid and is soluble in organic solvents, though its solubility in water may be limited. The presence of the chlorine atom can influence its pharmacological effects, potentially enhancing or modifying its stimulant properties compared to caffeine. 8-Chlorocaffeine is of interest in research for its potential applications in pharmacology and biochemistry, particularly in studies related to the central nervous system. As with many chlorinated compounds, it is essential to handle 8-chlorocaffeine with care, considering potential toxicity and environmental impact. Overall, its unique structure and properties make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₈H₉ClN₄O₂

InChI: InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

InChI key: InChIKey=HGKPGBJNNATDRR-UHFFFAOYSA-N

SMILES: O=C1C2=C(N=C(Cl)N2C)N(C(=O)N1C)C

Synonyms:

• 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3,7-trimethyl-
• 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3,7-trimethyl- (9CI)
• 8-Chloro-1,3,7-trimethylxanthine
• 8-Chlorocaffeine
• 8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
• Brn 0232628
• Caffeine, 8-chloro-
• Nsc 6277
• 8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
• 5-26-14-00135 (Beilstein Handbook Reference)
• 8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Dimenhydrinate Related Compound E (8-chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione)

CAS: 4921-49-7

Vegetable alkaloids, natural or reproduced by synthesis, their salts and other derivatives, nesoi

• Formula: C₈H₉ClN₄O₂
• Color and Shape: White Off-White Powder
• Molecular weight: 228.0414

Dimenhydrinate EP Impurity E (Dimenhydrinate USP Related Compound E)

CAS: 4921-49-7

• Formula: C₈H₉ClN₄O₂
• Color and Shape: White To Off-White Solid
• Molecular weight: 228.64

8-Chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (8-Chlorocaffeine)

CAS: 4921-49-7

• Formula: C₈H₉ClN₄O₂
• Color and Shape: White Solid
• Molecular weight: 228.64

8-Chloro Caffeine

CAS: 4921-49-7

Applications A halogenated analog of Caffeine (C080100) as potential radiosensitizing agent. References Bruns, R.F., et …

• Formula: C₈H₉ClN₄O₂
• Color and Shape: White Solid
• Molecular weight: 228.64

Dimenhydrinate Related Compound E

CAS: 4921-49-7

Versatile small molecule scaffold

• Formula: C₈H₉ClN₄O₂
• Purity: Min. 95%
• Molecular weight: 228.64 g/mol