Aprobarbital methanol solution
- CAS No.
- 77-02-1
- Chemical Name:
- Aprobarbital methanol solution
- Synonyms
- Numal;Isonal;Aprozal;Allonal;Alurate;Allional;NSC120769;Aprobarbita;Allypropymal;Aprobarbitone
- CBNumber:
- CB2497884
- Molecular Formula:
- C10H14N2O3
- Molecular Weight:
- 210.23
- MDL Number:
- MOL File:
- 77-02-1.mol
| Melting point | 140-141.5° |
|---|---|
| Boiling point | 349.75°C (rough estimate) |
| Density | 1.2056 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 7.81±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | 4.121g/L(25 ºC) |
| Major Application | forensics and toxicology |
| InChI | 1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) |
| InChIKey | UORJNBVJVRLXMQ-UHFFFAOYSA-N |
| SMILES | O=C1C(C(C)C)(CC=C)C(NC(N1)=O)=O |
| FDA UNII | Q0YKG9L6RF |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|---|---|
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501 |
| target organs | Eyes,Central nervous system |
| Hazard Codes | F,T |
| Risk Statements | 11-23/25-36/38 |
| Safety Statements | 16-24-45 |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
| Hazardous Substances Data | 77-02-1(Hazardous Substances Data) |
| Toxicity | LD50 i.p. in mice: 200 mg/kg (Frey) |
| DEA Controlled Substances | CSCN: 2100 CSA SCH: Schedule III NARC: No |
Aprobarbital methanol solution Chemical Properties, Uses, Production
Originator
Alurate,Roche
Uses
Controlled substance (depressant). Sedative, hypnotic.
Definition
ChEBI: A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by an isopropyl and a prop-1-en-3-yl group at position 5.
Manufacturing Process
170 parts of isopropylbarbituric acid are mixed with 500 parts of water and dissolved by adding 135 parts of a 30 percent of the solution of sodium hydroxide. To this solution are added 130 parts of 130 parts of allylbromide. An emulsion obtained is stirred at an inner temperature of about 25°C. The reaction is at first accompanied by a slight development of heat. After 12 hours the reaction is brought to a close. When cooled down the isopropylallylbarbituric acid is drawn off. The yield is more than 80 percent of the theoretically calculated quantity. By crystallization from diluted alcohol the pure isopropylallylbarbituric acid is obtained in colorless crystals of the melting point 137-138°C.
Therapeutic Function
Sedative, Hypnotic
World Health Organization (WHO)
Aprobarbital is an intermediate-acting barbiturate. See WHO comment for barbiturates.
Aprobarbital methanol solution Preparation Products And Raw materials
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