ISOBUTYLMETHYLXANTHINE Next Previous

ChEMBL ID CHEMBL275084
PubChem CID 3758
DrugBank Accession Number DB07954
ClinicalTrials ISOBUTYLMETHYLXANTHINE
Molecular Formula C10H14N4O2
Inchikey APIXJSLKIYYUKG-UHFFFAOYSA-N

Smiles
CC(C)CN1C(=O)N(C)C(=O)c2nc[nH]c12

Synonyms
2-Acetoxy-Benzoic Acid, 3-Isobutyl-Methylxanthine, IMBX

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 222.25
Rotatable Bonds 2
Acidic pKa (ACD) 8.61
Basic pKa (ACD) 1.49
LogP (ACD) 1.1
LogD (ACD) 1.07
ALogP 0.08
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