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SECOBARBITAL

CAS No.
76-73-3
Chemical Name:
SECOBARBITAL
Synonyms
Evronal;Immenox;Seconal;somosal;Barbosec;Hypotrol;Imesonal;Trisomnin;Somatarax;Immenoctal
CBNumber:
CB4238324
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.28
MDL Number:
MFCD00056088
MOL File:
76-73-3.mol
Last updated:2023-06-08 09:02:50

SECOBARBITAL Properties

Melting point 98°C
Boiling point 380.88°C (rough estimate)
Density 1.1343 (rough estimate)
refractive index 1.4760 (estimate)
Flash point 11 °C
storage temp. 2-8°C
solubility Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
pka 7.81±0.10(Predicted)
Water Solubility 1.728g/L(24 ºC)
EWG's Food Scores 1
FDA UNII 1P7H87IN75
ATC code N05CA06
EPA Substance Registry System 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)- (76-73-3)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS06
Signal word  Danger
Hazard statements  H301-H315-H319-H335
Precautionary statements  P301+P330+P331+P310-P305+P351+P338
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
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.
NFPA 704
3
0 0

SECOBARBITAL Chemical Properties,Uses,Production

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.

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.

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.]

SECOBARBITAL Preparation Products And Raw materials

Raw materials

Preparation Products

Trisomnin 5-ALLYL-5-[1-METHYLBUTYL]BARBITURIC ACID secobarbital free acid--dea schedule ii item secobarbital methanol solution SECOBARBITAL 98+% secobarbital solution 5-ALLYL-5-(1-METHYLBUTYL)BARBITURICACID(SECOBARBITAL) (RS)-Secobarbital 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)- (9CI) Barbituric acid, 5-allyl-5-(1-methylbutyl)- (8CI) Somatarax 5-Allyl-5-(1-methylbutyl)barbituric acid, Quinalbarbitone, Seconal (-)-5-Allyl-5-[(S)-1-methylbutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione (-)-5-Allyl-5-[(S)-1-methylbutyl]barbituric acid 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-[(R)-1-methylbutyl]barbituric acid 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Secobarbital CII (200 mg) 5-(1-Methylbutyl)-5-(2-propen-1-yl)- SECOBARBITAL QUINALBARBITONE 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)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-(1-methylbutyl)barbiturate 5-allyl-5-(1-methylbutyl)-barbituricaci 5-Allyl-5-(1-methylbutyl)malonylurea 6(1h,3h,5h)-pyrimidinetrione,5-(1-methylbutyl)-5-(2-propenyl)-4 6(1h,3h,5h)-pyrimidinitrione,5-(1-methylbutyl)-5-(2-propenyl)-4 Barbituric acid, 5-allyl-5-(1-methylbutyl)- Barbosec component of Hyptran Evronal Hypotrol Imesonal Immenoctal Immenox Meballymal Quinalbarbital quinobarbitone Secobarbitone Seconal somosal Secobarbital (CRM) Lorazepam Solution, 100ppm 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)- SECOBARBITAL USP/EP/BP Secobarbital [Controlled Substance 76-73-3 Analytical Standards Analytical Chromatography Product Catalog Alphabetic SA - SM Amines Heterocycles Intermediates & Fine Chemicals Pharmaceuticals