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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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
503 acenocoumarol
Synonyms Click here for help
Sinthrome® | Sintrom®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9603374
Reactome Reaction Reactome logo R-HSA-9026967
Other databases
ChEMBL Ligand CHEMBL397420
DrugCentral Ligand 48
GtoPdb PubChem SID 315661100
PubChem CID 54676537
Search Google for chemical match using the InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VABCILAOYCMVPS
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UniChem Compound Search for chemical match using the InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N