Isobutylmethylxanthine
FEATURES
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NAMES
  • 2-Acetoxy-Benzoic Acid
  • 3-Isobutyl-Methylxanthine
  • IBM
  • ISOBUTYLMETHYLXANTHINE
SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21
InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
MOLECULAR FORMULA
C10H14N4O2
CROSS REFERENCES
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Isobutylmethylxanthine
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight222.11
AlogP0.08
HBond donors1
HBond acceptors6
Atoms30
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Isobutylmethylxanthine.