155270-99-8
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
Inquiry
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 |
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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.