
CAS 83-67-0: Theobromine
Formula:C7H8N4O2
InChI:InChI=1S/C7H8N4O2/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=YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES:CN1C2=C(C(=O)NC1=O)N(C)C=N2
Synonyms:- 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
- 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 3,7-Dimethyl-3,7-dihydro-purine-2,6-dione
- 3,7-Dimethylpurine-2,6-dione
- 3,7-Dimethylxanthine
- Diurobromine
- Nsc 5039
- Purine(1H)-2,6-Dione, 3,7-Dihydro-3,7-Dimethyl-
- Santheose
- Sc 15090
- See more synonyms
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Theobromine
CAS:Formula:C7H8N4O2Purity:>98.0%(T)(HPLC)Color and Shape:White to Light yellow to Light orange powder to crystalMolecular weight:180.17