CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
Color/Form | Stout prisms from water. |
Melting Point | 94 °C |
Solubility | 5280 mg/L |
LogP | 1.05 |
Stability/Shelf Life | Ethotoin darkens on exposure to light or extreme heat. |
Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
Kovats Retention Index | 1790 1800 |
COMPUTED DESCRIPTORS
Molecular Weight | 204.22 g/mol |
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XLogP3 | 1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 204.089877630 g/mol |
Monoisotopic Mass | 204.089877630 g/mol |
Topological Polar Surface Area | 49.4 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 272 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethotoin is an imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective. It has a role as an anticonvulsant.