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50-11-3

Basic Information
CAS No.: 50-11-3
Name: METHARBITAL CIII (200 MG)
Article Data: 12
Molecular Structure:
Molecular Structure of 50-11-3 (METHARBITAL CIII (200 MG))
Formula: C9H14 N2 O3
Molecular Weight: 198.222
Synonyms: Barbituricacid, 5,5-diethyl-1-methyl- (8CI); Metharbital (6CI); 1-Methylbarbital;5,5-Diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5,5-Diethyl-1-methylbarbituric acid; Endiemalum; Gemonil; Gemonit;Metabarbital; Methabarbitone; Metharbitone; Methylbarbital; N-Methylbarbital;NSC 27156; Sch 412
Density: 1.122g/cm3
Melting Point: 155°
Boiling Point: 302°Cat760mmHg
Flash Point: 136.4°C
Solubility: 987mg/L(room temperature)
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
PSA: 66.48000
LogP: 0.76770
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Chemistry

Product Name: Metharbital (CAS NO.50-11-3)


Molecular Formula: C9H14N2O3
Molecular Weight: 198.25g/mol
Mol File: 50-11-3.mol
Boiling point: 302 °C at 760 mmHg
Flash Point: 136.4 °C
Density: 1.122 g/cm3
Surface Tension: 34.2 dyne/cm
Enthalpy of Vaporization: 62.89 kJ/mol
Vapour Pressure: 9.9E-05 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)CC
InChI: InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,
10,12,14) 
InChIKey: FWJKNZONDWOGMI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 159, 1973.
mouse LD50 oral 500mg/kg (500mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. -, 1965.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

Specification

 Metharbital ,its CAS NO. is 50-11-3,the synonyms is 1-Methylbarbital ; 5,5-Diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5,5-Diethyl-1-methylbarbituric acid ; 5-24-09-00144 (Beilstein Handbook Reference) ; AN 23 ; BRN 0184688 ; EINECS 200-011-2 ; Endiemalum ; Gemonil ; Methabarbital ; Metharbitalum ; Metharbitone ; N-Methylbarbital ; NSC 27156 ; Sch 412 ; UNII-02OS7K758T ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl- ; Barbituric acid, 5,5-diethyl-1-methyl- .