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CAS 1010-59-9: Theobromine sodium

Formula:C7H8N4O2·Na
InChI:InChI=1S/C7H8N4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);
InChI key:InChIKey=NHAXKHSVJBVINX-UHFFFAOYSA-N
SMILES:CN1C2=C(C(=O)NC1=O)N(C)C=N2.[Na]
Synonyms:
  • Sodium theobromine
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, sodium salt
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, sodium salt (1:1)
  • Theobromine, sodium deriv.
  • Theobromine, sodium salt
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