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Chemical substance record

Nicorandil

65141-46-0C8H9N3O4211.177 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A 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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number65141-46-0ChEBI ↗
Molecular formulaC8H9N3O4ChEBI ↗
Molar mass211.177 g/molChEBI ↗
Monoisotopic mass211.05931 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:31905ChEBI ↗

Cross-source molecular data

PubChem
Molar mass211.17 g/molPubChem ↗
Exact mass211.05930578 DaPubChem ↗
Computed XLogP0.8PubChem ↗
Topological polar surface area (Ų)97PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds4PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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nicorandil
2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrate
LBHIOVVIQHSOQN-UHFFFAOYSA-N
O=C(NCCO[N+](=O)[O-])c1cccnc1
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)

Names & synonyms

2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrateAdancorIkorelnicorandilumPerisalolSigmart

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
pyridinecarboxamideChEBI parent class · 25529 ↗nitrate esterChEBI parent class · 51080 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

antiviral agentcardiovascular drugvasodilator agentpotassium channel opener

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00473536 mol

Uses 211.177 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 8 atoms
45.50%
O
Oxygen · 4 atoms
30.30%
N
Nitrogen · 3 atoms
19.90%
H
Hydrogen · 9 atoms
4.30%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Conjunctival and corneal ulceration associated with nicorandil. ↗Cutaneous and ocular toxicology · 2014 Jun · PMID 23841868
Corneal perforation: another side effect of nicorandil. ↗Cutaneous and ocular toxicology · 2014 Jun · PMID 23845070
DE2714713 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US4200640 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:31905

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 47528 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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