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Metharbital

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Name

Metharbital

EINECS N/A
CAS No. 50-11-3 Density 1.122g/cm3
PSA 66.48000 LogP 0.76770
Solubility 987mg/L(room temperature) Melting Point 155°
Formula C9H14 N2 O3 Boiling Point 302°Cat760mmHg
Molecular Weight 198.222 Flash Point 136.4°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES. Risk Codes N/A
Molecular Structure Molecular Structure of 50-11-3 (METHARBITAL CIII (200 MG)) Hazard Symbols N/A
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

Article Data 12

Metharbital Chemical Properties

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

Metharbital 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.

Metharbital Safety Profile

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

Metharbital 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- .

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