Levosimendan | CAS No. 141505-33-1

Levosimendan

Basic Information

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CAS Number

141505-33-1

Molecular Formula

C14H12N6O

Molecular Weight

280.28 g/mol

EINECS

663-528-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

yellow

Melting Point

216-219°C (dec.)

Boiling Point

No data available

Density

1.33±0.1 g/cm3(Predicted)

Flash Point

No data available

Solubility

DMSO: ≥20mg/mL

Refractive Index

1.673

Specific Rotation

D25 -566° (tetrahydrofurane/methanol)

SMILES

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CC1CC(=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

LogP

1.19916

pKa

6.3(at 25℃)

Complexity

549

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Toxicity

LD50 in male, female mice, male rats (mg/kg): 156, 152, 103 orally; 32, 50, 57 i.v. (Pagel)

Synonyms & References

English

CHEBI:50567
Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6- oxo-3-pyridazinyl)phenyl)hydrazone
KSC-210-010
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
LEVOSIMENDAN [MI]
NSC 759644
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazono]propanedinitrile
Levosimedan
OR 1259
Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone
HY-14286
DS-8918
NSC-759644
HMS3264G03
Tox21_113768
1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide
Levosimendan [INN]
A807767
UNII-C6T4514L4E
NSC759644
SR-01000931342
SCHEMBL83243
NCGC00263564-01
(R)-N-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide
(R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono) propanedintrile
levosimendanum
PROPANEDINITRILE, ((4-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZONO)-, (R)-
NCGC00263564-02
AB01562970_01
LEVOSIMENDAN
SR-01000931342-2

MDL Number

MFCD00867135

EC Number

663-528-6

Customs Code

2933.99.7500

FAQ

What are the physical and chemical properties of Levosimendan (CAS: 141505-33-1)?

Levosimendan (CAS: 141505-33-1) is a white or off-white crystalline powder with a molecular weight of approximately 528.66 g/mol. It is slightly soluble in water and has minimal reactivity under normal conditions. Its solubility in ethanol and methanol is higher. It is stable at room temperature and under normal atmospheric conditions.

How is Levosimendan (CAS: 141505-33-1) typically synthesized?

Levosimendan (CAS: 141505-33-1) is synthesized through multi-step organic synthesis involving coupling reactions, protection/deprotection steps, and asymmetric synthesis. Commonly used catalysts include transition metal complexes. The overall yield is moderate, around 40-50%, depending on the optimization of the reaction conditions.

What industries use Levosimendan (CAS: 141505-33-1)?

Levosimendan (CAS: 141505-33-1) is primarily used in the pharmaceutical industry as a calcium sensitizer for the treatment of acute heart failure. It has limited use in other industries such as polymer chemistry for specific applications requiring calcium ion modulation.

What precautions should be taken when handling Levosimendan (CAS: 141505-33-1)?

When handling Levosimendan (CAS: 141505-33-1), wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Store it in a cool, dry place, away from direct sunlight and heat sources. Use a fume hood during weighing and dissolution. In case of spill, immediately clean up using appropriate absorbents and refer to the Safety Data Sheet (SDS) for detailed instructions.