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76-73-3

76-73-3 Structure

76-73-3 Structure
IdentificationBack Directory
[Name]

SECOBARBITAL
[CAS]

76-73-3
[Synonyms]

Evronal
Immenox
Seconal
somosal
Hypotrol
Imesonal
Barbosec
Trisomnin
Somatarax
Meballymal
Immenoctal
SECOBARBITAL
Secobarbitone
Quinalbarbital
quinobarbitone
QUINALBARBITONE
SECOBARBITAL 98+%
(RS)-Secobarbital
component of Hyptran
secobarbital solution
Secobarbital CII (200 mg)
Lorazepam Solution, 100ppm
secobarbital methanol solution
5-allyl-5-(1-methylbutyl)barbiturate
5-Allyl-5-(1-methylbutyl)malonylurea
5-(1-Methylbutyl)-5-(2-propen-1-yl)-
5-allyl-5-(1-methylbutyl)-barbituricaci
5-ALLYL-5-[1-METHYLBUTYL]BARBITURIC ACID
Barbituric acid, 5-allyl-5-(1-methylbutyl)-
secobarbital free acid--dea schedule ii item
(+)-5-Allyl-5-[(R)-1-methylbutyl]barbituric acid
(-)-5-Allyl-5-[(S)-1-methylbutyl]barbituric acid
Barbituric acid, 5-allyl-5-(1-methylbutyl)- (8CI)
5-ALLYL-5-(1-METHYLBUTYL)BARBITURICACID(SECOBARBITAL)
5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
6(1h,3h,5h)-pyrimidinetrione,5-(1-methylbutyl)-5-(2-propenyl)-4
6(1h,3h,5h)-pyrimidinitrione,5-(1-methylbutyl)-5-(2-propenyl)-4
5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
(+)-5-Allyl-5-[(R)-1-methylbutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
(-)-5-Allyl-5-[(S)-1-methylbutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-
2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-
5-Allyl-5-(1-methylbutyl)barbituric acid, Quinalbarbitone, Seconal
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)- (9CI)
[EINECS(EC#)]

200-982-2
[Molecular Formula]

C12H18N2O3
[MDL Number]

MFCD00056088
[MOL File]

76-73-3.mol
[Molecular Weight]

238.28
Chemical PropertiesBack Directory
[Melting point ]

98°C
[Boiling point ]

380.88°C (rough estimate)
[density ]

1.1343 (rough estimate)
[refractive index ]

1.4760 (estimate)
[Fp ]

11 °C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

neat
[pka]

7.81±0.10(Predicted)
[Water Solubility ]

1.728g/L(24 ºC)
[EPA Substance Registry System]

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)- (76-73-3)
Hazard InformationBack Directory
[Uses]

Barbiturates are being widely used as antiepileptics, hypnotics, and anesthetics Controlled substance.
[Definition]

ChEBI: A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.
[Description]

Secobarbital (CRM) (Item No. 21707) is a certified reference material categorized as a barbiturate. It extends intoxication and increases withdrawal effects in patients with a family history of alcoholism. Secobarbital is regulated as a Schedule II compound in the United States. Secobarbital (CRM) (Item No. 21707) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
[Brand name]

Seconal(Lilly);Seconal sodium;Tuinal.
[World Health Organization (WHO)]

Secobarbital is a short to intermediate-acting barbiturate which is controlled under Schedule III of the 1971 Convention on Psychotropic Substances. See WHO comment for barbiturates. (Reference: (UNCPS3) United Nations Convention on Psychotropic Substances (III), , , 1971)
[Purification Methods]

It is purified by dissolving the sodium salt [309-43-3] in 10% HCl which precipitates the acid form that is extracted into Et2O. The extract is dried (Na2SO4) and evaporated. The residue is then purified by repeated crystallisation from CHCl3. [Buchet & Sandorfy J Phys Chem 88 3274 1984, Beilstein 24 III/IV 2013.]
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25-36/37/38-25
[Safety Statements ]

36/37-45-26-16
[RIDADR ]

UN 1230 3/PG 2
[WGK Germany ]

2
[RTECS ]

CP9450000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2933530000
[Hazardous Substances Data]

76-73-3(Hazardous Substances Data)
[Toxicity]

A barbiturate sedative-hypnotic with a long half-life, the abuse of which can lead to tolerance and dependence. The oral LD50 in rats is 125 mg/kg.
Spectrum DetailBack Directory
[Spectrum Detail]

SECOBARBITAL(76-73-3)1HNMR
SECOBARBITAL(76-73-3)IR1
SECOBARBITAL(76-73-3)Raman
Tags:76-73-3 Related Product Information
67-52-7 309-43-3

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