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155270-99-8

155270-99-8 structural image
Product Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6 -dione
Formula: C20H24N4O4
Synonyms: (E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine;8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-1H-purine-2,6-dione;KW-6002
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 601
Melting Point 189-193
Solubility 0.5µg/mL
Dissociation Constants 0.78

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 384.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 384.17975526 g/mol
Monoisotopic Mass 384.17975526 g/mol
Topological Polar Surface Area 76.9 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 613
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Istradefylline is an oxopurine.