nicorandil   Click here for help

GtoPdb Ligand ID: 2411

Synonyms: Ikorel® | SG-75
Approved drug
nicorandil is an approved drug (UK (2009))
Compound class: Synthetic organic
Comment: Nicorandil is an antianginal medication that acts as an adenosine triphosphate (ATP)-sensitive K+ (K(ATP)) channel opener and a nitrate [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 94.36
Molecular weight 211.06
XLogP 0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)OCCNC(=O)c1cccnc1
Isomeric SMILES [O-][N+](=O)OCCNC(=O)c1cccnc1
InChI InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
InChI Key LBHIOVVIQHSOQN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (2009))
IUPAC Name Click here for help
2-(pyridine-3-carbonylamino)ethyl nitrate
International Nonproprietary Names Click here for help
INN number INN
4933 nicorandil
Synonyms Click here for help
Ikorel® | SG-75
Database Links Click here for help
CAS Registry No. 65141-46-0 (source: Scifinder)
ChEBI CHEBI:31905
ChEMBL Ligand CHEMBL284906
DrugCentral Ligand 1919
GtoPdb PubChem SID 135650715
PubChem CID 47528
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Wikipedia Nicorandil

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Nicorandil
Cat. No. 2147