phenprocoumon   Click here for help

GtoPdb Ligand ID: 6839

Synonyms: Liquamar® | phenprocoumarol
Approved drug
phenprocoumon is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor. The INN-designated compound is a racemic mixture of two enantiomers.The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.44
Molecular weight 280.11
XLogP 4.99
No. Lipinski's rules broken 0
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Canonical SMILES CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
Isomeric SMILES CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
247 phenprocoumon
Synonyms Click here for help
Liquamar® | phenprocoumarol
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9035040
Reactome Reaction Reactome logo R-HSA-9026967
Other databases
CAS Registry No. 435-97-2
DrugBank Ligand DB00946
DrugCentral Ligand 2138
GtoPdb PubChem SID 178103445
PubChem CID 54680692
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UniChem Compound Search for chemical match using the InChIKey DQDAYGNAKTZFIW-UHFFFAOYSA-N
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Wikipedia Phenprocoumon