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Emoxipin

Emoxipin structure

CAS No:
2364-75-2
Formula:
C8H11NO
Chemical Name:
Emoxipin
Synonyms:
3-Pyridinol,2-ethyl-6-methyl-;2-Ethyl-6-methyl-3-pyridinol;6-Methyl-2-ethyl-3-hydroxypyridine;2-Ethyl-6-methyl-3-hydroxypyridine;2-Ethyl-3-hydroxy-6-methylpyridine;Epygid;Epigid;Emoxypine;Emoxipine;Emoxipin;Emoxypin;Emoxibel;123939-43-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White to Off-White Solid

Emoxipin Basic Attributes

Molecular Weight：

137.18

Exact Mass：

137.18

UNII：

V247P5H4E1

DSSTox ID：

DTXSID40178313

HScode：

2933399090

Characteristics

PSA：

33.1

XLogP3：

1.7

Density：

1.1±0.1 g/cm3

Melting Point：

169-170 °C

Boiling Point：

280.6ºC at 760mmHg

Flash Point：

123.5±25.9 °C

Refractive Index：

1.536

Vapor Pressure：

0.0022mmHg at 25°C

Safety Information

RTECS Number：

UU7714800

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)|A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents). (See all compounds classified as Psychotropic Drugs.)|Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)|Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)|Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

MeSH Entry Terms：

2-ethyl-6-methyl-3-hydroxypyridine

Emoxipin Use and Manufacturing

Methods of Manufacturing

13.41 g (0.1 m) L-hydroxybutandioic acid is added to 13.7 g of (0.1 m) 2-ethyl-6- methyl-3-hydroxypyridine, mixed up thoroughly and heated up to the melting temperature of 100C - 110C. About 120 ml of water is added gradually to the obtained mixture, the solution is filtered, and 60-70% of water is removed by vacuum distillation. Then 80ml of acetone is added to the remainder, the bulk is crystallized, the obtained residual matter is filtered and dried in vacuum. 23.8 g of white crystalline substance with a high hygroscopicity is obtained, which deliquesces in air. C12H17NO6 Found, %: C 53.07; H 6.38; N 5.11. Calculated, %: C 53.14; H 6.27; N 5.17. IR-spectrum, v erm1: 3510, 3230, 1660, 1610, 1560, 1292, 1161. UV-spectrum, nm: 228, 291 (water) Optical rotation [O]D20 -13.6 (4.5% acetonitrile)General procedure: The required amount of the PABA-6-MeUr and PABA-PyrAm cocrystals and PABA-EMX salt were prepared by the slurry method. The physical mixtures of PABA with the corresponding coformer in 1:1 stoichiometry were stirred for 4-6h using a magnetic stirrer with the solvent amount (ethanol for the cocrystals, acetone for the salt) sufficient to produce a wet paste at room temperature. The obtained samples were dried and characterized by DSC and PXRD to verify the formation of pure cocrystal/salt.

Uses

An antidepressant

Computed Properties

Molecular Weight:137.18
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:137.084063974
Monoisotopic Mass:137.084063974
Topological Polar Surface Area:33.1
Heavy Atom Count:10
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Ethyl-6-methyl-3-hydroxypyridine CAS 2364-75-2

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