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3-Methylxanthine

3-Methylxanthine

CAS Number: 1076-22-8

Molecular Formula: C6H6N4O2

Purity: 3-Methylxanthine 98% purity

About the product

3-Methylxanthine (CAS 1076-22-8) serves as a critical biomarker and metabolic intermediate in the American pharmaceutical landscape, where Pharma/API purity 99% is essential for US-based researchers investigating theophylline and caffeine metabolic pathways. 3,7-Dihydro-3-methyl-1H-purine-2,6-dione has seen increased d...

Synonyms

  • 3-methylxanthine
  • 3-methylxanthine, methyl-(13)C-labeled
  • 3-methylxanthine, monopotassium salt
  • 3-methylxanthine, monosodium salt
  • 3-Methylxanthine
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3-Methylxanthine Specifications

CAS Number
1076-22-8
Molecular Formula
C6H6N4O2
Molecular Weight
166.14 g/mol
IUPAC Name
3-methyl-7H-purine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)NC1=O)NC=N2
InChI Key
GMSNIKWWOQHZGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
PubChem CID
70639
HSN No
29335990

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