식별자 및 물리적 특성
| CAS No. | 3703-76-2 |
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| 분자식 | C20H24ClNO |
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| 평균 분자량 | 329.9 g/mol |
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| 단동위원소 질량 | 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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화학 및 물리적 성질
| XLogP | 4.8 |
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| 극성 표면적 | 12.5 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 6 |
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| 무거운 원자 수 | 23 |
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| 형식 전하 | 0 |
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| 복잡도 | 318 |
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| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesAntitussive Agents |
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| 끓는 점 | 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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안전 및 규제
| GHS 분류 | 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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