Chemical substance record

Milrinone

78415-72-2C₁₂H₉N₃O211.224 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	78415-72-2	ChEBI ↗
Molecular formula	C₁₂H₉N₃O	ChEBI ↗
Molar mass	211.224 g/mol	ChEBI ↗
Monoisotopic mass	211.07456 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:50693	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	211.22 g/mol	PubChem ↗
Exact mass	211.074561919 Da	PubChem ↗
Computed XLogP	0	PubChem ↗
Topological polar surface area (Å²)	65.8	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	1	PubChem ↗

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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Source preferred name

milrinone

IUPAC name

2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile

InChIKey

PZRHRDRVRGEVNW-UHFFFAOYSA-N

SMILES

Cc1nc(=O)c(C#N)cc1-c1ccncc1

InChI

InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)

Names & synonyms

2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrilemilrinonamilrinonum

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

Classification & relationships

ChEBI ontology

nitrileChEBI parent class · 18379 ↗pyridoneChEBI parent class · 38183 ↗bipyridinesChEBI parent class · 50511 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

cardiovascular drugvasodilator agentantihypertensive agentcardiotonic drugplatelet aggregation inhibitorEC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitorantispasmodic drug

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

Amount

Input unit

Equivalent amount

0.00473431 mol

Uses 211.224 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 · 12 atoms

68.24%

N

Nitrogen · 3 atoms

19.89%

O

Oxygen · 1 atom

7.57%

H

Hydrogen · 9 atoms

4.29%

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

Milrinone, a phosphodiesterase III inhibitor, antagonizes the neuromuscular blocking effect of a non-depolarizing muscle relaxant in vitro. ↗Research communications in molecular pathology and pharmacology · 1999 · PMID 10634314

Milrinone, a selective phosphodiesterase 3 inhibitor, stimulates lipolysis, endogenous glucose production, and insulin secretion. ↗Metabolism: clinical and experimental · 2003 Nov · PMID 14624413

BE886336 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4313951 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4413127 · 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

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:50693

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

Additional molecular descriptorsNCBI PubChem · CID 4197 · 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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