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141626-36-0

141626-36-0 structural image
Product Name: Dronedarone
Formula: C31H44N2O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from acetone/hexane
Melting Point 137-145
Solubility 0.64 g/l
LogP 4.63
Optical Rotation MW: 360.53. Crystals from hexane, mp 126-130 °C. Specific optical rotation: + 24 deg at 25 °C/D /Propionate/
Other Experimental Properties White fine powder; practically insoluble in water; freely soluble in methylene chloride and methanol; mw 593.2 /Dronedarone hydrochloride/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 556.8 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 18
Exact Mass 556.29709368 g/mol
Monoisotopic Mass 556.29709368 g/mol
Topological Polar Surface Area 97.2 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 800
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Dronedarone is a member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. It has a role as an anti-arrhythmia drug, an environmental contaminant and a xenobiotic. It is a member of 1-benzofurans, a tertiary amino compound, a sulfonamide, an aromatic ketone and an aromatic ether.

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