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Levosimendan

CAT: 1596-AR-L01583-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01583-06Size:250 Units
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CAS Number
141505-33-1
Synonyms
(R) - (4- (4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl) phenyl) carbonohydrazonoyldicyanide; [[4-[ (4R) -1,4,5,6-Terahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazono]propanedinitrile; (R) -Simendan; OR-1259; Simdax
Molecular Formula
C14H12N6O
Molecular Weight
280.29
API Name
Levosimendan

Chemical Information

Levosimendan

Levosimendan is a nitrile, a pyridazinone and a hydrazone. It has a role as a vasodilator agent, an anti-arrhythmia drug, a cardiotonic drug and an EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor.

CAS Number141505-33-1
PubChem CID3033825
IUPAC Name2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
Molecular FormulaC14H12N6O
Molecular Weight280.28
XLogP2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity549
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N
InChI
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
InChIKey
WHXMKTBCFHIYNQ-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Levosimendan
CAS: 141505-33-1
CID: 3033825
Formula: C14H12N6O
MW: 280.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.28
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass280.10725903
Monoisotopic Mass280.10725903
Topological Polar Surface Area113 Ų
Heavy Atom Count21
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
318150Levosimendan

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