| Identification | Back Directory | [Name]
ISOCAFFEINE | [CAS]
519-32-4 | [Synonyms]
ISOCAFFEINE
CAFFEINE IMP C
Caffeine EP Impurity C
1,3,9-TRIMETHYLXANTHINE
1,3,9- Trimethyllxanthine
1,3,9-trimethylpurine-2,6-dione
Caffeine IMpurity C (Isocaffeine)
2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE
Isocaffeine (1,3,9-Trimethylxanthine)
1,3,9-triMethyl-1H-purine-2,6(3H,9H)-dione
3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine
1,3,9-TRIMETHYLXANTHINE (ISOCAFFEINE) 2, 6-DIHYDROXY-1,3,9-T | [EINECS(EC#)]
208-267-7 | [Molecular Formula]
C8H10N4O2 | [MDL Number]
MFCD00022834 | [MOL File]
519-32-4.mol | [Molecular Weight]
194.19 |
| Chemical Properties | Back Directory | [Melting point ]
288-290°C (dec.) | [Boiling point ]
416.8±37.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Room temp | [solubility ]
H2O: >20mg/mL | [form ]
solid | [pka]
0.74±0.70(Predicted) | [color ]
White to Off-White | [BRN ]
196140 | [Major Application]
(Pharmaceutical small molecule) |
| Hazard Information | Back Directory | [Uses]
Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. | [General Description]
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards | [Biochem/physiol Actions]
1,3,9-Trimethylxanthine is an adenosine receptor antagonist. |
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