Isocaffeine

For research use only. Not for therapeutic Use.

  • CAT Number: R040235
  • CAS Number: 519-32-4
  • Molecular Formula: C8H10N4O2
  • Molecular Weight: 194.194
  • Purity: ≥95%
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Catalog Number R040235
CAS Number 519-32-4
Synonyms

3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione; 1,3,9-Trimethylxanthine; 9-Methyltheophylline; NSC 28332; EP Impurity C for Caffeine

Molecular Formula C8H10N4O2
Purity ≥95%
Storage -20°C
IUPAC Name 1,3,9-trimethylpurine-2,6-dione
InChI InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
InChIKey LPHGQDQBBGAPDZ-UHFFFAOYSA-N
SMILES CN1C=NC2=C1N(C(=O)N(C2=O)C)C

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