5-Ethyl-5-(1-methylbutyl)malonylurea
Pentobarbital
CAS: 76-74-4
Molecular Formula: C11H18N2O3
5-Ethyl-5-(1-methylbutyl)malonylurea - Names and Identifiers
| Name | Pentobarbital |
| Synonyms | Dorsital pentobarbital Pentobarbitone component of Emesert pentobarbital methanol solution barbituricacid,5-ethyl-5-(2-pentyl) 5-ethyl-5-(sec-pentyl)barbituricacid 5-Ethyl-5-(1-methylbutyl)malonylurea 5-Ethyl-5-(sec-pentyl)barbituric acid 5-ethyl-5-(1-methylbutyl)barbituric acid Barbituric acid, 5-ethyl-5-(1-methylbutyl)- pentobarbital free acid--dea*schedule ii item 6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-methylbutyl)-4 |
| CAS | 76-74-4 |
| EINECS | 200-983-8 |
| InChI | InChI=1/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
5-Ethyl-5-(1-methylbutyl)malonylurea - Physico-chemical Properties
| Molecular Formula | C11H18N2O3 |
| Molar Mass | 226.27 |
| Density | 1.1376 (rough estimate) |
| Melting Point | 129.5°C |
| Boling Point | 367.89°C (rough estimate) |
| Flash Point | 9℃ |
| Water Solubility | 679 mg/L |
| Solubility | Very slightly soluble in water, freely soluble in ethanol. It forms water-soluble compounds with alkali hydroxides and carbonates and with ammonia. |
| pKa | pK1:8.11(0) (25°C) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4620 (estimate) |
5-Ethyl-5-(1-methylbutyl)malonylurea - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R63 - Possible risk of harm to the unborn child R39/23/24/25 - R36/38 - Irritating to eyes and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | CQ5775000 |
| HS Code | 2933530000 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | A barbiturate that causes CNS depression, apparently due to a facilitation of GABA-ergic inhibition. It appears that the site of action of pentobarbital may be the macromolecular complex made up of a GABA receptor, chloride channel, benzodiazepine-binding site, and picrotoxin-binding site. Barbiturates have been shown to compete for dihydropicrotoxinin-binding sites. In clinical use, barbiturates such as pentobarbital have been largely replaced as sedative-hypnotics by the much safer benzodiazepines. The sedative-hypnotic properties of barbiturates may lead to abuse, as tolerance and dependence are known to occur. In animals, pentobarbital is routinely used for its anesthetic and anticonvulsant properties, as well as for euthanasia. Pentobarbital, like other barbiturates, can induce the metabolism of other compounds by altering cytochrome P450 activity. The oral LD50 in rats is 118 mg/kg. |
