Identifikatoren & physikalische Daten
| CAS No. | 3703-76-2 |
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| Summenformel | C20H24ClNO |
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| Durchschnittliche Molmasse | 329,9 g/mol |
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| Monoisotopische Masse | 329,15464207 g/mol |
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| SMILES | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 |
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| InChIKey | FLNXBVJLPJNOSI-UHFFFAOYSA-N |
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| PubChem CID | 2805 |
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| ChEMBL | CHEMBL415087 |
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| ChEBI | CHEBI:94448 |
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| EC No. | 223-042-3 |
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| DTXSID | DTXSID7048532 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
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| Polarare Oberfläche (TPSA) | 12,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 318 |
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| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesAntitussive Agents |
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| Siedepunkt | 178-180 |
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| Collision Cross Section | 171.56 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, 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. |
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| Hazard Classes and Categories | STOT SE 3 (100%) |
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| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)CloperastineDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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