AMB19134045

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Structure Amb19134045
names
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-di(methyl-d3)-
  • 3,7-Dimethylxanthine-[2H6] (Theobromine)
  • Theobromine D6
  • Theobromine-d6
CAS
  • 117490-40-1
Molecular weight 186.201
formula C7H2D6N4O2
num atoms 21
num bonds 22
num rotors 0
num rings 2
logP -1.0397
PSA 72.68
MR 47.1377