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Impurities and reference standards

Simendan

Also known as Propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-, Propanedinitrile, 2-[2-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazinylidene]-, Mesoxalonitrile (+-)-(p-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone

CAS 131741-08-7Formula C14H12N6OMolar mass 280.29 g/mol
5 suppliers listed
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Simendan chemical structure, C14H12N6O, CAS 131741-08-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
131741-08-7
Formula
C14H12N6O
Molar mass
280.29 g/mol
HS code
293379
Category
Impurities and reference standards

What is Simendan?

Plain description, key identifiers and synonyms

Simendan is a chemical substance with the molecular formula C14H12N6O and a molar mass of 280.29 g/mol. Its CAS registry number is 131741-08-7. The IUPAC name is 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile
CAS number
131741-08-7 CAS number cross-checked
Molecular formula
C14H12N6O
UNII
349552KRHK
InChIKey
WHXMKTBCFHIYNQ-UHFFFAOYSA-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)
SMILES (canonical and isomeric)
CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N

Synonyms

  • Propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-
  • Propanedinitrile, 2-[2-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazinylidene]-
  • Mesoxalonitrile (+-)-(p-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone
  • Propanedinitrile, 2-(2-(4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazinylidene)-
  • ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile
  • simendanum
  • 1-cyano-N-(4-(6-hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl)methanecarbohydrazonoyl cyanide
  • 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile
  • Levosimendan Impurity 16
  • Simsndan, OR-1259
  • (4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)carbonohydrazonoyl dicyanide
  • [[4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
  • [4-(4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl]carbonohydrazonoyl dicyanide
  • 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazono]propanedinitrile
  • {[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono} propanedinitrile
  • 2-(2-(4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazinylidene)propanedinitrile
  • Mesoxalonitrile (+/-)-(P-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
280.29 g/molcalc.
Exact mass
280.1073 Dacalc.
LogP (octanol/water)
1.36calc.
Topological polar surface area
113.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC(c2ccccc2)=NN1

O=C1CCC(c2ccccc2)=NN1

2 rings, 13 atoms, the 6-Phenyl-4,5-dihydro-3(2H)-pyridazinone ring system.

134 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Simendan suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers
  • 1st Scientific LLC
    China, NanjingUnclaimed profile
    SimendanGrade, purity and minimum order on request
    Price on request
    View
  • Amerigo Scientific
    United States, HauppaugeUnclaimed profile
    SimendanGrade, purity and minimum order on request
    Price on request
    View
  • Selleck Chemicals
    United States, HoustonUnclaimed profile
    SimendanGrade, purity and minimum order on request
    Price on request
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  • Synblock Inc
    Canada, MontrealUnclaimed profile
    SimendanGrade, purity and minimum order on request
    Price on request
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  • Veeprho
    Czech Republic, Czech RepublicUnclaimed profile
    SimendanGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 4 countries

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Simendan price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Cardiotonic Agents
  • Phosphodiesterase 3 Inhibitors
  • Vasodilator Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Simendan is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Simendan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Simendan, based on the data on this page

What is Simendan?

Simendan is a chemical substance with the molecular formula C14H12N6O and a molar mass of 280.29 g/mol. Its CAS registry number is 131741-08-7. The IUPAC name is 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile.

What is the CAS number of Simendan?

The CAS registry number of Simendan is 131741-08-7.

What is the molecular formula and weight of Simendan?

The molecular formula of Simendan is C14H12N6O and its molar mass is 280.29 g/mol.

What is Simendan used for?

Known uses and roles of Simendan include cardiotonic agents, phosphodiesterase 3 inhibitors and vasodilator agents.

Is Simendan hazardous?

No GHS hazard classification for Simendan is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Simendan?

Simendan is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Simendan?

CompoundList lists 5 suppliers of Simendan in United States, Canada, China and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Simendan?

Suppliers quote Simendan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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