Allylbarbital: 0 Products found
Name
Allylbarbital
EINECS
CAS No.
77-26-9
Density
Solubility
Melting Point
139-140 °C
Formula
C11H16 N2 O3
Boiling Point
Molecular Weight
224.29
Flash Point
Transport Information
Appearance
Safety
Poison by ingestion and subcutaneous routes. Human systemic effects by ingestion: toxic psychosis, coma, reduced blood pressure, respiratory depression, nausea and vomiting, and kidney effects. When heated to decomposition it emits toxic NOx. See also ALLYL COMPOUNDS, BARBITURATES, and various barbital compounds. Used as a sleep aid.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-methylpropyl)-5-(2-propenyl)- (9CI); Barbituric acid, 5-allyl-5-isobutyl-(8CI); 5-Allyl-5-(2-methylpropyl)barbituric acid;5-Allyl-5-(2'-methyl-n-propyl)barbituric acid; 5-Allyl-5-isobutylbarbituricacid; Alisobumal; Allylbarbital; Allylbarbitone; Allylisobutylbarbital;Allylisobutylbarbituric acid; Butalbarbital; Butalbital; Fioricet;Isobutylallylbarbituric acid; Isobutylallylbarturic acid; Itobarbital;Sandoptal; Tetrallobarbital

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Chemistry

Molecular Formula: C11H16N2O3
Molar mass: 224.26 g/mol
EINECS: 201-017-8
Density: 1.085 g/cm3
Index of Refraction: 1.47
Melting point: 139-140 °C
Storage temp: 2-8°C
Product categories of Allylbarbital (77-26-9): API's
Structure of Allylbarbital (77-26-9):

XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Systematic Name: 5-Allyl-5-isobutyl-hexahydropyrimidine-2,4,6-trione 
SMILES: O=C1NC(=O)NC(=O)C1(CC(C)C)C\C=C 
InChI: InChI=1/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) 
InChIKey: UZVHFVZFNXBMQJ-UHFFFAOYAQ 
Std. InChI: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) 
Std. InChIKey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N

Uses

 Allylbarbital (77-26-9) is often combined with other medications, such as paracetamol (acetaminophen) or aspirin, and is commonly prescribed for the treatment of pain and headache.

Toxicity

1.    

orl-wmn TDLo:400 mg/kg:CVS,PUL,GIT

    SAVEAB    Sammlung von Vergiftungsfaellen. 10 (1939),181A.
2.    

orl-chd TDLo:10 mg/kg:CNS,KID

    SAVEAB    Sammlung von Vergiftungsfaellen. 10 (1939),209A.
3.    

scu-rat LD50:160 mg/kg

    AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 152 (1930),341.
4.    

orl-pgn LD50:75 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
5.    

orl-dck LD50:237 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
6.    

orl-bsd LD50:75 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.

Safety

Poison by ingestion and subcutaneous routes. Human systemic effects by ingestion: toxic psychosis, coma, reduced blood pressure, respiratory depression, nausea and vomiting, and kidney effects. When heated to decomposition it emits toxic NOx. See also ALLYL COMPOUNDS, BARBITURATES, and various barbital compounds. Used as a sleep aid.

Others

 Allylbarbital (77-26-9) also can be called Butalbital ; Alisobumal ; Tetrallobarbital and 5-(2-Methylpropyl)-5-prop-2-en-1-ylpyrimidin-2,4,6(1H,3H,5H)-trion .It is a barbiturate with an intermediate duration of action. It has the same chemical formula as talbutal but a different structure.