Milrinone Lactate - ≥95% , CAS No.100286-97-3

CAS: 100286-97-3 Cat. No.: M1067044 Formula: C₁₅H₁₅N₃O₄ Molecular Weight: 301.3 PubChem CID: 172293

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

Canonical Smiles

CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2.CC(C(=O)O)O

IUPAC Name

2-hydroxypropanoic acid;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

InChIKey

VWUPWEAFIOQCGF-UHFFFAOYSA-N

INCHI

1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2.CC(C(=O)O)O

Alternate CAS

100286-97-3

PubChem CID

172293

MeSH Entry Terms

Corotrop;Corotrope;Lactate, Milrinone;Milrinone;Milrinone Lactate;Primacor;Win 47203;Win-47203;Win47203

Molecular Weight

301.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: 3-pyridinecarbonitriles Methylpyridines Hydroxypyridines Dihydropyridines Alpha hydroxy acids and derivatives Heteroaromatic compounds Secondary alcohols Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Bipyridine - 3-pyridinecarbonitrile - Methylpyridine - Hydroxypyridine - Dihydropyridine - Alpha-hydroxy acid - Hydropyridine - Hydroxy acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: lactate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 301.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 301.106 Da
• Monoisotopic Mass: 301.106 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 478.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3