HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Azaspiro(4.5)decan-3-one
Gabapentin Related Compound A · 3,3-PENTAMETHYLENE-4-BUTYROLACTAM · forgabapentine · Gabapentin RC A · Gabapentin-lactam · Gabapentin Lactum · Gabapentin USP RC A · Gabapentin EP Impurity A
Identifikatoren & physikalische Daten
| CAS No. | 64744-50-9 |
|---|---|
| Summenformel | C9H15NO |
| Durchschnittliche Molmasse | 153,22 g/mol |
| Monoisotopische Masse | 153,1153641 g/mol |
| SMILES | O=C1CC2(CCCCC2)CN1 |
| InChIKey | JAWPQJDOQPSNIQ-UHFFFAOYSA-N |
| PubChem CID | 47457 |
| ChEMBL | CHEMBL3115477 |
| ChEBI | CHEBI:182289 |
| EC No. | 451-630-1 |
| DTXSID | DTXSID40215070 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 170 |
| Schmelzpunkt | 84-89 °C(lit.) |
| Siedepunkt | 181 °C / 13mmHg |
| Dichte | 1.05±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in DMSO (up to 40 mg/ml) |
| pKa (Säurekonstante) | 16.39±0.20(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months. |
| InChI | 1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) |
| InChIKey | JAWPQJDOQPSNIQ-UHFFFAOYSA-N |
| SMILES | O=C1CC2(CCCCC2)CN1 |
| CAS Datenbank | 64744-50-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2599 |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| RTECS-Nr. | CM0120000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Gabapentin-lactam reduces protein aggregates and improves motor performance in a transgenic mouse model of Huntington’s disease. It opens mitochondrial ATP-dependent potassium channels.