allopurinol

Ligand id: 6795

Name: allopurinol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 53.16
Molecular weight 137.05
XLogP -0.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1966))
IUPAC Name
1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
International Nonproprietary Names
INN number INN
1731 allopurinol
Synonyms
Aloprim® | BW-56-158 | BW-56158 | Zyloprim®
Database Links
CAS Registry No. 315-30-0
ChEMBL Ligand CHEMBL1467
DrugBank Ligand DB00437
PubChem CID 2094
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Wikipedia Allopurinol
Comments
Marketed formulations may contain (PubChem CID 16051976).