(6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate
654、654-2 · ANISODAMINE · LAnisodaMine · Racanisodamine · ANISODAMINE USP/EP/BP · Anisodamine Intermediate · Racanisodamine (Standard) · Racanisodamine, 10 mM in DMSO
Identifikatoren & physikalische Daten
| CAS No. | 17659-49-3 |
|---|---|
| Summenformel | C17H23NO4 |
| Durchschnittliche Molmasse | 305,4 g/mol |
| Monoisotopische Masse | 305,16270821 g/mol |
| SMILES | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2 |
| InChIKey | WTQYWNWRJNXDEG-UHFFFAOYSA-N |
| PubChem CID | 2198 |
| EC No. | 977-449-2 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 70 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 396 |
| Kovats Retention Index | 2484.223322335 |
| Collision Cross Section | 170.9 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated] |
| Schmelzpunkt | 106-109°C |
| Siedepunkt | 474.6±45.0 °C(Predicted) |
| Dichte | 1.27 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.12±0.10(Predicted) |
| Farbe | White |
| InChI | InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13+,14-,15+,16+/s3 |
| InChIKey | WTQYWNWRJNXDEG-FUSWRVNVNA-N |
| SMILES | [C@]12([H])C[C@H](C[C@]([H])(C[C@@H]1O)N2C)OC(=O)[C@H](CO)C1C=CC=CC=1 |&1:0,3,5,8,15,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Irrit. 2 (100%) |
| Zollcode | 29399990 |
Anwendungen & Verwendung
Beschreibung
Amisodamine is a kind of alkaloid which is mainly living in anisodus tanguticus, which is a M receptor just like Atropine. It is a kind of traditional Chinese medicine which comes from the “National assembly of Chinese Herbal medicine”, and it is the alias of zangjia registered in “Chines herbal medicine summary of shan gan ning qing”. It is a perennial root herb that lives in the bottom slope in the eastern Tibet, Qinghai Province, the Southern GanSu Province, the western SiChuan Province, the northwestward YunNan Province. Since the sources is scare, racemic form of raceanisodamine is the main drug in clinic.
History
It is the traditional Chinese medicine and the rich folk herbs that create favorable conditions to look for and develop good medicine. Dated from ancient times, anisodus tanguticus used to the treatment of pain. Unfortunately, it can lead to atropine poisoning resulted from large dosage. When found the adverse effects, research made analysis and finally discovered six kinds of ramifications. Besides, they found two types alkaloid anisodamine and anisodine. Compared with atropine, anisodamen has one more hydroxy in tropic ring and named “654”.
Verwenden
anticholinergic, antispasmodic