HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cotarnin
cotarnin · Cotarmine · Noscapine Impurity 1(Cotarnine) · Cotarnine (base and/or unspecified salts) · 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol · 4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol · 1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-4-methoxy-6-methyl- · 1-Hydroxy-8-methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
Identifikatoren & physikalische Daten
| CAS No. | 59760-32-6 |
|---|---|
| Summenformel | C12H15NO4 |
| Durchschnittliche Molmasse | 237,25 g/mol |
| Monoisotopische Masse | 237,10010796 g/mol |
| SMILES | COc1c2c(cc3c1C(O)N(C)CC3)OCO2 |
| InChIKey | PAPMYQLKLNRZIR-UHFFFAOYSA-N |
| PubChem CID | 6715 |
| ChEMBL | CHEMBL1616073 |
| ChEBI | CHEBI:166583 |
| EC No. | 201-429-8 |
| DTXSID | DTXSID40871559 |
| Lokaler Name | Cotarnin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 288 |
| Arzneimittel | DEA NFLIS-Drug Category -> Narcotics |
| Collision Cross Section | 149.65 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 132.5°C (rough estimate) |
| Siedepunkt | 379.78°C (rough estimate) |
| Dichte | 1.2026 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.82±0.20(Predicted) |
| Farbe | Light Yellow to Yellow |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| UN-Transportnummer | 1544 |
|---|---|
| Gefahrenklasse | 6.1(a) |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Cotarnine is an intermediate in synthesizing Cotarnine Chloride (C717500), an oxidative degradation product of the drug Noscapine.