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CHEBI:31905 - nicorandil

Default Structure
ChEBI IDCHEBI:31905
ChEBI Namenicorandil
Stars
DefinitionA pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris.
Last Modified22 February 2017
DownloadsMolfile
FormulaC8H9N3O4
Net Charge0
Average Mass211.177
Monoisotopic Mass211.05931
SMILESO=C(NCCO[N+](=O)[O-])c1cccnc1
InChIInChI=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)
InChIKeyLBHIOVVIQHSOQN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
potassium channel opener  A potassium channel modulator that opens the potassium channel.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
nicorandil (CHEBI:31905) has functional parent nicotinamide (CHEBI:17154)
nicorandil (CHEBI:31905) has role antiviral agent (CHEBI:22587)
nicorandil (CHEBI:31905) has role cardiovascular drug (CHEBI:35554)
nicorandil (CHEBI:31905) has role potassium channel opener (CHEBI:79085)
nicorandil (CHEBI:31905) has role vasodilator agent (CHEBI:35620)
nicorandil (CHEBI:31905) is a aromatic carboxylic acid (CHEBI:33859)
nicorandil (CHEBI:31905) is a nitrate ester (CHEBI:51080)
nicorandil (CHEBI:31905) is a organic molecular entity (CHEBI:50860)
nicorandil (CHEBI:31905) is a pyridinecarboxamide (CHEBI:25529)
nicorandil (CHEBI:31905) is a pyridinemonocarboxylic acid (CHEBI:26420)
IUPAC Name 
2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrate
INNs  Source
nicorandilWHO MedNet
nicorandilWHO MedNet
nicorandilWHO MedNet
nicorandilumWHO MedNet
Synonyms  Source
2-nicotinamidoethyl nitrateChemIDplus
N-(2-hydroxyethyl)nicotinamide nitrateChemIDplus
SG 75ChemIDplus
SG-75ChemIDplus
Brand Names  Source
AdancorChEBI
IkorelChEBI
PerisalolChEBI
SigmartChEBI
Manual XrefsDatabases
1919DrugCentral
C13280KEGG COMPOUND
D01810KEGG DRUG
DE2714713Patent
LSM-6009LINCS
NicorandilWikipedia
US4200640Patent
Registry NumbersSources
CAS:65141-46-0KEGG COMPOUND
CAS:65141-46-0ChemIDplus
Citations