HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20313Erstellt: 31. Oktober 2026
Amitriptylinoxide
D07449 · amitriptyline N-oxide · Amitriptylinoxide (inn) · Amitriptyline Impurity 8 · Nortriptyline EP Impurity J · ZPMKQFOGINQDAM-UHFFFAOYSA-N · Amitriptyline N-Oxide (Nortriptyline EP Impurity J) · Nortriptyline EP Impurity J (Amitriptyline N-Oxide)
https://huagongshe.com/de/chemical/20313
Identifikatoren & physikalische Daten
| CAS No. | 4290-60-2 |
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| Summenformel | C20H23NO |
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| Durchschnittliche Molmasse | 293,41 g/mol |
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| Monoisotopische Masse | 293,17796436 g/mol |
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| SMILES | C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21 |
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| InChIKey | ZPMKQFOGINQDAM-UHFFFAOYSA-N |
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| PubChem CID | 20313 |
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| ChEMBL | CHEMBL627 |
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| ChEBI | CHEBI:135224 |
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| EC No. | 610-112-7 |
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| DTXSID | DTXSID50195758 |
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Chemische & physikalische Eigenschaften
| Schmelzpunkt | 228-230°mp 102-103° |
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| Siedepunkt | 435.25°C (rough estimate) |
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| Dichte | 1.0552 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Amber Vial, -86°C Freezer, Under inert atmosphere |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Biologische Quelle | synthetic |
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| Stabilität | Light and Temperature Sensitive |
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| InChI | 1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
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| InChIKey | ZPMKQFOGINQDAM-UHFFFAOYSA-N |
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| SMILES | [N+]([O-])(CCC=C1c2c(cccc2)CCc3c1cccc3)(C)C |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Toxizität | LD50 in mice, guinea pigs, rabbits, dogs (mg/kg): between 330-460 orallyin mice, rats: 87, 25 i.v.320, 110 i.p. (Friehe, Fontaine). |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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