Levosimendan
Properties
- Molecular formula
- C14H12N6O
- Molar mass
- 280.29 g/mol
- Exact mass
- 280.1073 Da
- logP
- 2.20Crippen estimate
- Polar surface area
- 116.9 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 3
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed95.3% of notifiers
- H312 Harmful in contact with skin95.3% of notifiers
- H332 Harmful if inhaled95.3% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
141505-33-1SMILES
C[C@@H]1CC(O)=NN=C1c1ccc(NN=C(C#N)C#N)cc1InChIKey
WHXMKTBCFHIYNQ-SECBINFHSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Propanedinitrile, [[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazono]-
- Propanedinitrile, 2-[2-[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazinylidene]-
- Propanedinitrile, [[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-, (R)-
- 2-[2-[4-[(4R)-1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazinylidene]propanedinitrile
- (R)-Simendan
- OR 1259
- Simdax
- (-)-OR 1259
- 2-[[4-[(4R)-4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
Work with Levosimendan
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(5R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone101328-85-255 % similar
Pimobendan74150-27-938 % similar
Carbonyl cyanide M-chlorophenyl hydrazone555-60-235 % similar
6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone36725-28-732 % similar
Diphenylcarbazide140-22-730 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.