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Cas Database

Name	Allylbarbital	EINECS	N/A
CAS No.	77-26-9	Density	1.1672 (rough estimate)
PSA	75.27000	LogP	1.61860
Solubility	1.702g/L(25 oC)	Melting Point	139-140 °C
Formula	C11H16 N2 O3	Boiling Point	365.66°C (rough estimate)
Molecular Weight	224.26	Flash Point	11 °C
Transport Information	N/A	Appearance	N/A
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 NO_x. See also ALLYL COMPOUNDS, BARBITURATES, and various barbital compounds. Used as a sleep aid.	Risk Codes	22-43-39/23/24/25-23/24/25-11
Molecular Structure		Hazard Symbols	Xn,T,F
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	Article Data	5

Allylbarbital Chemical Properties

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

Allylbarbital 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.

Allylbarbital Toxicity Data With Reference

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.

Allylbarbital Safety Profile

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 NO_x. See also ALLYL COMPOUNDS, BARBITURATES, and various barbital compounds. Used as a sleep aid.

Allylbarbital Specification

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.

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