1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione (Isocaffeine)

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For Research Use Only | Not For Clinical Use
CATAPS519324
CAS519-32-4
Structure
SynonymsCaffeine Imp. C (EP), Isocaffeine, 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
IUPAC Name1,3,9-trimethylpurine-2,6-dione
Molecular Weight194.19
Molecular FormulaC8H10N4O2
Canonical SMILESCN1C(=O)N(C)c2c(ncn2C)C1=O
InChIInChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
Accurate Mass194.0804
API FamilyMatrix - API Family Theophylline; Caffeine
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Storage Conditions+5°C
SubcategoryStimulants, Respiratory drugs, Mikromol, Impurity standards
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