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Milrinone

CAT: 0127-BUP15786-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15786-05Size:500 mg
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CAS Number
78415-72-2
Synonyms
Win 47203
Purity
=98%
Smiles
CC1=C(C=C(C#N)C(=O)N1)C=2C=CN=CC2

Chemical Information

Milrinone

Milrinone is 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. It has a role as a vasodilator agent, a cardiotonic drug, a platelet aggregation inhibitor and an EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor. It is a nitrile, a pyridone and a member of bipyridines.

CAS Number78415-72-2
PubChem CID4197
IUPAC Name6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
Molecular FormulaC12H9N3O
Molecular Weight211.22
XLogP0
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity419
SMILES
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
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)
InChIKey
PZRHRDRVRGEVNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Milrinone
CAS: 78415-72-2
CID: 4197
Formula: C12H9N3O
MW: 211.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.22
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass211.074561919
Monoisotopic Mass211.074561919
Topological Polar Surface Area65.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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