Compound: LEVOSIMENDAN
SMILES: O=C1NN=C(c2ccc(NN=C(C#N)C#N)cc2)[C@@H](C1)C
InChIKey: WHXMKTBCFHIYNQ-SECBINFHSA-N
Synonyms: LEVOSIMENDAN, 141505-33-1, Simdax, (R)-Simendan, (-)-OR-1259, levosimendanum, OR-1259, Simendan, (r)-, OR1259, NSC-759644, DTXSID9046445, CHEBI:50567, C6T4514L4E, DTXCID7026445, 1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide, 1-cyano-N-(4-((4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)methanecarbohydrazonoyl cyanide, RefChem:799036, C01CX08, 663-528-6, MFCD00867135, 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile, Levosimedan, (R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono) propanedintrile, (R)-N-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide, Levosimendan [INN], (R)-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide, Mesoxalonitrile (p-((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-pyridazinyl)phenyl)hydrazone, Simsndan;OR-1259, SMR002529692, Simdax (TN), CAS-141505-33-1, Levosimendan (USAN/INN), Levosimendan [USAN:INN], UNII-C6T4514L4E, OR 1259, Levosimendan (Standard), LEVOSIMENDAN [MI], LEVOSIMENDAN [USAN], Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone, SCHEMBL83243, LEVOSIMENDAN [MART.], MLS003899227, MLS006010741, LEVOSIMENDAN [WHO-DD], orb1305351, CHEMBL2051955, Levosimendan - Bio-X trade mark, Levosimendan, >=98% (HPLC), GLXC-05104, HMS3264G03, HMS3884N17, KUC109648N, Pharmakon1600-01502356, Tox21_112191, Tox21_113768, BDBM50469700, EBC-26427, HY-14286R, NSC759644, s2446, AKOS015895214, Tox21_112191_1, AC-1752, CCG-213048, DB00922, DS-8918, FM24887, NSC 759644, ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile, [[4-[(4R)-1,4,5,6-Terahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazono]propanedinitrile, 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazono]propanedinitrile, KSC-210-010, NCGC00253641-01, NCGC00263564-01, NCGC00263564-02, BM164625, HY-14286, L0320, SW219172-1, D04720, N12889, AB01562970_01, AB01562970_02, EN300-18567987, Q162541, SR-01000931342, SR-01000931342-2, BRD-K03095347-001-05-3, BRD-K03095347-001-06-1, (R)-N-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyldicyanide, {4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}carbonohydrazonoyl dicyanide, 2-(2-(4-((4R)-1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZINYLIDENE)PROPANEDINITRILE, Mesoxalonitrile (-)-  {p-[(R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl}hydrazone, Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6- oxo-3-pyridazinyl)phenyl)hydrazone, PROPANEDINITRILE, ((4-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZONO)-, (R)-, PROPANEDINITRILE, 2-(2-(4-((4R)-1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZINYLIDENE)-
Theoretical properties:
molecular_formula: C14H12N6O
molecular_weight: 280.28 g/mol
exact_mass: 280.10725903 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 3
heavy_atom_count: 21
topological_polar_surface_area: 113 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 8.81e-02 g/L
Descriptions:
pubchem: 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.
chembl: LEVOSIMENDAN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Levosimendan (INN) is a calcium sensitizer used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax (Orion Corporation). Overall the drug has a two fold mechanism of action. It leads to greater inotropy by increasing the calcium sensitivity as it binds to troponin and this results in a greater positive inotrophic force. Secondly, the drug is able to open ATP-sensitive potassium channels in vascular smooth muscle cells, and the vascular dilatory effects of the drug lead to a decreased preload and afterload, putting less work on the heart. This drug is in the process of review by the FDA but has not been approved for use in the United States yet.