-
Name
METHARBITAL CIII (200 MG)
- EINECS
- CAS No. 50-11-3
- Article Data12
- CAS DataBase
- Density 1.122g/cm3
- 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
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 66.48000
- LogP 0.76770
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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