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Cardiovascular and metabolic drugs

Capadenoson

Also known as BAY 68-4986, 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile, 2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

CAS 544417-40-5Formula C25H18ClN5O2S2Molar mass 520.04 g/molEC 695-646-9
GHS signal word: Warning. Pictograms: Serious health hazard
Get quotes Safety data
Capadenoson chemical structure, C25H18ClN5O2S2, CAS 544417-40-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
544417-40-5
Formula
C25H18ClN5O2S2
Molar mass
520.04 g/mol
EC number
695-646-9
HS code
293410
Category
Cardiovascular and metabolic drugs

What is Capadenoson?

Plain description, key identifiers and synonyms

Capadenoson is a chemical substance with the molecular formula C25H18ClN5O2S2 and a molar mass of 520.04 g/mol. Its CAS registry number is 544417-40-5. The IUPAC name is 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CAS number
544417-40-5 CAS number cross-checked
EC number
695-646-9
Molecular formula
C25H18ClN5O2S2
UNII
O519NVW73R
MDL number
MFCD09954113
InChIKey
CITWCLNVRIKQAF-UHFFFAOYSA-N
InChI
InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)
SMILES (canonical and isomeric)
C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO

Synonyms

  • BAY 68-4986
  • 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-Amino-6-(((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl)sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile
  • capadenosonum
  • 2-amino-6-((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methylsulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile
  • 2-amino-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile
  • 2-Amino-6-(((2-(4-chlorophenyl)thiazol-4-yl)methyl)thio)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile
  • C25H18ClN5O2S2
  • Capadenoson?
  • 2-amino-6-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-3,5-Pyridinedicarbonitrile
  • Capadenoson, BAY 68-4986
  • 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitril
  • 2-Amino-6-(((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl)s
  • 2-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-[4-(2-hydroxyethoxy)phenyl]-3,5-pyridinedicarbonitrile
  • 2-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-4-[4-(2-hydroxy-ethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-Amino-6-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
  • 2-amino-6-[[2-(4-chlorophenyl)thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

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
520.04 g/molcalc.
Exact mass
519.059 Dacalc.
LogP (octanol/water)
5.51calc.
Topological polar surface area
128.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
8calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.12calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, c1ccc(-c2ccnc(SCc3csc(-c4ccccc4)n3)c2)cc1

c1ccc(-c2ccnc(SCc3csc(-c4ccccc4)n3)c2)cc1

4 rings, 25 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H361Suspected of damaging fertility or the unborn child.
  • H370Causes damage to organs.
Precautionary statements (10)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Capadenoson suppliers

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Capadenoson 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

Roles

  • anti-arrhythmia drug
  • cardiovascular drug
  • pharmaceutical

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 Capadenoson is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Capadenoson?

Capadenoson is a chemical substance with the molecular formula C25H18ClN5O2S2 and a molar mass of 520.04 g/mol. Its CAS registry number is 544417-40-5. The IUPAC name is 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

What is the CAS number of Capadenoson?

The CAS registry number of Capadenoson is 544417-40-5.

What is the molecular formula and weight of Capadenoson?

The molecular formula of Capadenoson is C25H18ClN5O2S2 and its molar mass is 520.04 g/mol.

What is Capadenoson used for?

Known uses and roles of Capadenoson include cardiovascular drugs in pharmaceuticals, anti-arrhythmia drug, cardiovascular drug and pharmaceutical.

Is Capadenoson hazardous?

Capadenoson carries the GHS signal word "Warning". Main hazards: suspected of damaging fertility or the unborn child, causes damage to organs. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Capadenoson?

Capadenoson is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Capadenoson?

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What is the price of Capadenoson?

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

Guides for buyers

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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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