CAS No.50-12-4,(S)-MEPHENYTOIN Suppliers

Products Categories

Pharmaceutical (28)
Reagent (4)
Organic Chemicals (4)
Others (1)

Basic Information

Molecular Structure:
CAS No.:	50-12-4
Name:	(S)-MEPHENYTOIN
Article Data:	10

Formula:	C12H14 N2 O2
Molecular Weight:	218.255
Synonyms:	Hydantoin,5-ethyl-3-methyl-5-phenyl- (6CI,7CI,8CI);3-Ethylnirvanol;3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione;3-Methyl-5-ethyl-5-phenylhydantoin;5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione;5-Ethyl-3-methyl-5-phenylhydantoin;5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione;DL-Mephenytoin;Epiazin;Epilan;Fenantoin;Gerot-Epilan;Insulton;Mephenytoin;Mesantoin;Mesdontoin;Mesontoin;Methoin;Methylphenetoin;Metydan;NSC 34652;Phenantoin;Phenylethylmethylhydantoin;Sacerno;Sedantional;Sedantoin;Triantoin;
EINECS:	200-012-8
Density:	1.154g/cm³
Melting Point:	135-138 °C
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	Poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: somnolence, hemorrhage, changes in teeth and supporting structures. Human mutation data reported. An experimental teratogen. An FDA proprietary drug used as an anticonvulsant. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	49.41000
LogP:	1.74020

Total:27 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 50-12-4

Chemistry

Molecule structure of 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) :

IUPAC Name: 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
Molecular Weight: 218.25176 g/mol
Molecular Formula: C₁₂H₁₄N₂O₂
Density: 1.154 g/cm³
Melting Point 135 deg C
Storage Temp.: 2-8 °C
Index of Refraction: 1.541
Molar Refractivity: 59.39 cm³
Molar Volume: 188.9 cm³
Polarizability: 23.54810^-24 cm³
Surface Tension: 40.1 dyne/cm
pKa Dissociation Constant: 8.51
log P (octanol-water): 1.69
Water Solubility: 1270 mg/L
Vapor Pressure: 3.80E-08 mm Hg
Henry's Law Constant: 4.90E-10 atm-m³/mole
Atmospheric OH Rate Constant: 1.07E-11 cm³/molecule-sec
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 218.105528
MonoIsotopic Mass: 218.105528
Topological Polar Surface Area: 49.4
Heavy Atom Count: 16
Complexity: 310
Canonical SMILES: CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2
InChI: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
InChIKey: GMHKMTDVRCWUDX-UHFFFAOYSA-N
EINECS: 200-012-8

Uses

3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is used to be the anti-epileptic disease.

Production

By benzene acetone cyclization, methylation derived. 1. Cyclization to ammonium carbonate, potassium cyanide, ammonia, benzene, acetone and ethanol followed by adding the mixture, heating the reaction, the reactant into the ice water, add diluted hydrochloric acid to pH = 5-6, analysis of the white powder. Filtration, the filtrate plus destruction of cyanide in aqueous solution of ferrous sulfate. Cake by washing to neutral, drying, may 5-ethyl-5-phenyl-hydantoin. 2. Methylation to 5-ethyl-5- phenyl-hydantoin dissolved in sodium hydroxide solution, slowly adding dimethyl sulfate, 2h at 12-15 °C reaction to the reaction solution neutral. Filtration, filter cake successively with 10% sodium hydroxide solution and water washing, drying may mephenytoin crude. Refined get the product.

Toxicity Data With Reference

1.	cyt-hmn:leu 1 mg/L	AJOGAH American Journal of Obstetrics and Gynecology. 116 (1973),867.
2.	orl-wmn TDLo:1100 mg/kg:CNS,BLD,MSK	JAMAAP JAMA, Journal of the American Medical Association. 138 (1949),498.
3.	orl-rat LD50:850 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.
4.	ipr-rat LDLo:270 mg/kg	MEIEDD Merck Index. 11 (1989),919.
5.	orl-mus LD50:440 mg/kg	CKFRAY Ceskoslovenska Farmacie. 4 (1955),333.
6.	ipr-mus LD50:317 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 156 (1965),261.
7.	orl-cat LD50:190 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.
8.	orl-rbt LD50:430 mg/kg	27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,151.
9.	orl-gpg LD50:380 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.

Safety Profile

Poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: somnolence, hemorrhage, changes in teeth and supporting structures. Human mutation data reported. An experimental teratogen. An FDA proprietary drug used as an anticonvulsant. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Harmful Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 2

Specification

3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is also called (+-)-5-Ethyl-3-methyl-5-phenylhydantoin ; 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl- ; 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (+-)- ; 3-Ethylnirvanol ; 3-Methyl-5,5-phenylethylhydantoin ; 5-24-08-00093 (Beilstein Handbook Reference) ; 5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione ; 5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione ; 5-Ethyl-3-methyl-5-phenylhydantoin ; 5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione ; 5-Ethyl-5-fenyl-3-methylhydantoin [Czech] ; Mefenitoina [INN-Spanish] ; Mephenytoine [INN-French] ; Mephenytoinum [INN-Latin] ; Phenylethylmethylhydantoin ; Sedantoinal ; Triantoin . 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is a white crystalline powder with odorless. It is soluble in chloroform, alcohol and ether, insoluble in water.