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5-Butyl-5-ethylbarbitursure
Neonal · Butobarbital · Budorm · Etoval · Meonal · Soneryl · Monodorm · Sonerile
Identifikatoren & physikalische Daten
| CAS No. | 77-28-1 |
|---|---|
| Summenformel | C10H16N2O3 |
| Durchschnittliche Molmasse | 212,25 g/mol |
| Monoisotopische Masse | 212,11609238 g/mol |
| SMILES | CCCCC1(CC)C(=O)NC(=O)NC1=O |
| InChIKey | STDBAQMTJLUMFW-UHFFFAOYSA-N |
| PubChem CID | 6473 |
| ChEMBL | CHEMBL404422 |
| ChEBI | CHEBI:134884 |
| EC No. | 201-019-9 |
| DTXSID | DTXSID70227808 |
| Lokaler Name | 5-Butyl-5-ethylbarbitursure |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 279 |
| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> BarbituratesPharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | 1.73 |
| Löslichkeit | 1.27e+00 g/LMethanol (Soluble)863.9mg/L(25 ºC) |
| Schmelzpunkt | 128.5 °C124-127° |
| Physical Description | Solid |
| Dissociation Constants | 7.86 |
| Siedepunkt | 352.08°C (rough estimate) |
| Dichte | 1.1718 (rough estimate) |
| Brechungsindex | 1.4550 (estimate) |
| Aggregatzustand | Colourless Solution |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (97.4%) |
| Gesundheitliche Auswirkungen | They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. |
| Expositionspfade | Rapidly absorbed following oral administration. Parenteral (intraperitroneal injection or infusion). |
| Toxizitätsübersicht | Butethal binds at a distinct binding site associated with a Cl<sup>-</sup> ionopore at the GABA<sub>A</sub> receptor, increasing the duration of time for which the Cl<sup>-</sup> ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. |
| Signs and Symptoms | Signs of overdose include confusion (severe), decrease in or loss of reflexes, drowsiness (severe), fever, irritability (continuing), low body temperature, poor judgment, shortness of breath or slow or troubled breathing, slow heartbeat, slurred speech, staggering, trouble in sleeping, unusual movements of the eyes, weakness (severe). |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst) |
Anwendungen & Verwendung
Verwenden
BUTETHAL--DEA SCHEDULE III ITEM is a barbiturate derivative that is used as a hypnotic agent with sedative and anticonvulsant properties. BUTETHAL--DEA SCHEDULE III ITEM is a Controlled Substance.