acenocoumarol   Click here for help

GtoPdb Ligand ID: 9015

Synonyms: Sinthrome® | Sintrom®
Approved drug
acenocoumarol is an approved drug
Compound class: Synthetic organic
Comment: Acenocoumarol is a coumarin that is used as an anticoagulant, with actions and uses similar to warfarin. The coumarins are vitamin K epoxide reductase antagonists.
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View more information in the IUPHAR Pharmacology Education Project: acenocoumarol

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 110.65
Molecular weight 353.09
XLogP 3.49
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]
Isomeric SMILES CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
1. Gebauer M. (2007)
Synthesis and structure-activity relationships of novel warfarin derivatives.
Bioorg Med Chem, 15 (6): 2414-20. [PMID:17275317]