warfarin

Ligand id: 6853

Name: warfarin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 67.51
Molecular weight 308.1
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1954))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
International Nonproprietary Names
INN number INN
341 warfarin
Synonyms
Coumadin® | Marevan® | panwarfin
Comments
PubChem CID 54678486 is an enatiomeric mixture of the much more active S-form (CID 54688261) and the R-form (CID 54684598) [2]. This reference also reviews important pharmacogenomic aspects of this drug but note the application of this has become controversial (see the PharmKB drug link). Note also there is also a tautomeric variant depicted as CID 54689812. Marketed formulations may specify warfarin sodium (CID 16204922) or warfarin potassium (CID 23706212).
Database Links
CAS Registry No. 81-81-2
ChEMBL Ligand CHEMBL1464
DrugBank Ligand DB00682
GtoPdb PubChem SID 178103459
Immunopaedia Search warfarin
PubChem CID 54678486
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Wikipedia Warfarin