Milrinone (CED0003097)

Record Information
Version1.0
Creation Date2016-05-22 03:43:51 UTC
Update Date2026-08-18 22:09:36 UTC
Accession NumberCHEM016792
Identification
Common NameMilrinone
ClassSmall Molecule
Description
Milrinone is an organic compound with the chemical formula C12H9N3O and an average molecular weight of 211.22 g/mol. Milrinone belongs to the bipyridines and oligopyridines, a subclass of pyridines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. Regarding its biological activity, milrinone acts as an inhibitor of cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (PDE3A). Within healthcare, pharmaceuticals, and veterinary products, it is utilized as a cardiac stimulant, excluding cardiac glycosides, and is administered via intravenous exposure. The compound is found in or released from 21 recorded sources across several categories. In the realm of electrical and electronic equipment, it is associated with antennas, communication cables or conductors, electric switches, electrically stimulated smoking devices, and conductors or conductive bodies characterized by the conductive materials, among four other sources. Household cleaning and consumer products include bleaching agents, cigar cigarettes, non-electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, among one other source. Additionally, it is linked to building and construction materials such as fencing, stairs and ramps, and tents or canopies. In the sector of food, food processing, and cookware, milrinone is found in food preservation and the processing of meats.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carbonitrileChEBI
MilrinonaChEBI
MilrinonumChEBI
MilrilaKegg
Milrinone lactateHMDB
Sanofi winthrop brand OF milrinone lactateHMDB
CorotropeHMDB
Lactate, milrinoneHMDB
Sanofi brand OF milrinone lactateHMDB
Sanofi synthelabo brand OF milrinoneHMDB
CorotropHMDB
PrimacorHMDB
Sanofi synthelabo brand OF milrinone lactateHMDB
Chemical FormulaC12H9N3O
Average Molecular Mass211.219 g/mol
Monoisotopic Mass211.075 g/mol
CAS Registry Number78415-72-2
IUPAC Name6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile
Traditional Namemilrinone
SMILESCC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1
InChI IdentifierInChI=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)
InChI KeyPZRHRDRVRGEVNW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassBipyridines and oligopyridines
Direct ParentBipyridines and oligopyridines
Alternative Parents
Substituents
  • Bipyridine
  • 3-pyridinecarbonitrile
  • Methylpyridine
  • Hydroxypyridine
  • Heteroaromatic compound
  • Azacycle
  • Nitrile
  • Carbonitrile
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.21 g/LALOGPS
logP1.04ALOGPS
logP0.33ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)7.54ChemAxon
pKa (Strongest Basic)4.82ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area65.78 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity61.14 m³·mol⁻¹ChemAxon
Polarizability21.46 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-03di-0940000000-de414fd2987c2519246eNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0790000000-fe6863cad241275fc104Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-1894d0a48fc2ccb74718Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0190000000-6ae34a9fd604b709bcc9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0970000000-c1a7f68e4f0eb27d6881Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1900000000-8e2c336e4e2425cca486Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-047756d13498358fc54dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ta-1910000000-c2df049a2cac6a6ad313Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-3910000000-21cb0ac7a539590cf3a5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08n9-7900000000-f774999fc6fb39238858Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00o1-9300000000-9b1eed78c20489183326Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004l-9100000000-c84b782dfa6c28c15ddcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-969f8d74389284d0c167Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0790000000-fe6863cad241275fc104Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0910000000-fc5d7b4b5d53b03f9466Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0290000000-b38b170217bbd9d7e25fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-f64e7596402754a4b604Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-26c2c2e4a070ced0a357Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-2910000000-9dd75ce90f4ff8815f0dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-45c345dcd4345833de38Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xr-1950000000-fdf8eb99b3742253c28cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-dfb53eb6396012b925b6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-dd390a8851bc45e040bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0190000000-5c1f18ed05396375f825Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-f3e70a99a71448cab92aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0890000000-bfab530880966fe77275Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0960000000-b5ba51359797edebe2abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0910000000-ef41e9407afd711d5c0bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0290000000-2c8241b410d6b7086497Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-0900000000-ccfb580c53747940cab5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0190000000-2cb39ce75a92e448632bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0490000000-965869ada70d66d49d3bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-1900000000-9cb160e2a8ae73abe5abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-2090000000-d8156993a1e826e141e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-1090000000-ede696e70db345df5f83Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-3900000000-77dd2ad8dae1d83ae0bfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-922db33a567c133f1c97Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0390000000-450f694308fe43611428Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-2900000000-f6338327e59d2a150a05Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-9e9bf180242b4f06eea1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0590000000-b15de9729ab129acfc8aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-1900000000-7b60a285f164c14a7a9cNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
253.0Log mg/kg[140:450]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
233BrushesPersonal care & cosmeticsNot Available
286Cardiac stimulants excl. cardiac glycosidesHealthcare, pharmaceuticals & veterinary productsNot Available
496FencingBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4AO89085Cavia porcellusPredicted (SEA)0.0778492
Click to view 3D structurePhosphodiesterase 3AQ9XSW7Sus scrofaPredicted (SEA)0.0778492
cGMP-specific 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseO76074HumansPredicted (SEA)24.1333
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B structureClick to view 3D structurecGMP-inhibited 3',5'-cyclic phosphodiesterase 3BQ13370HumansPredicted (SEA)2.17978
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A structureClick to view 3D structurecGMP-inhibited 3',5'-cyclic phosphodiesterase 3AQ14432HumansPredicted (SEA)12.5337
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)24.7561
Click to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseO54735Rattus norvegicusPredicted (SEA)2.41333
Click to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseQ28156Bos taurusPredicted (SEA)3.58106
Click to view 3D structurePhosphodiesterase 3BE1BN64Bos taurusPredicted (SEA)2.10193
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)447.088
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)659.539
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)119.966
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)699.32
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)660.161
Mitogen-activated protein kinase 9 structureClick to view 3D structureMitogen-activated protein kinase 9P45984HumansPredicted (SEA)815.548
Click to view 3D structureMitogen-activated protein kinase 14P70618Rattus norvegicusPredicted (SEA)6.15009
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)1194.28
Casein kinase I isoform gamma-1 structureClick to view 3D structureCasein kinase I isoform gamma-1Q9HCP0HumansPredicted (SEA)572.503
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)991.955
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)1140.8
Serine/threonine-protein kinase N2 structureClick to view 3D structureSerine/threonine-protein kinase N2Q16513HumansPredicted (SEA)828.627
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)1265.67
Mitogen-activated protein kinase 11 structureClick to view 3D structureMitogen-activated protein kinase 11Q15759HumansPredicted (SEA)327.122
Click to view 3D structureSerine/threonine-protein kinase TAO1Q7L7X3HumansPredicted (SEA)947.892
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)1199.58
Concentrations
Not Available
External Links
DrugBank IDDB00235
HMDB IDHMDB0014380
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDMIL
Wikipedia LinkMilrinone
Chemspider ID4052
ChEBI ID50693
PubChem Compound ID4197
Kegg Compound IDC07224
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10634314
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=14624413
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=14638547
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=21905056
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=21971319