Theobromine

Monograph ID
M10703
Title
Theobromine
UNII
OBD445WZ5P
Molecular formula
C7H8N4O2
Molecular weight
180.17
Percent composition
C 46.67%, H 4.48%, N 31.10%, O 17.76%
Standard 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)
Standard InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N

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