식별자 및 물리적 특성
| CAS No. | 87848-99-5 |
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| 분자식 | C22H24N2O2 |
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| 평균 분자량 | 348.4 g/mol |
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| 단동위원소 질량 | 348.18377801 g/mol |
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| SMILES | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 |
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| InChIKey | PWACSDKDOHSSQD-IUTFFREVSA-N |
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| PubChem CID | 5284514 |
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| ChEMBL | CHEMBL1224 |
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| ChEBI | CHEBI:83168 |
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| EC No. | 618-080-6 |
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| DTXSID | DTXSID6022555 |
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화학 및 물리적 성질
| XLogP | 1.6 |
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| 극성 표면적 | 53.4 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 4 |
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| 회전 가능 결합 수 | 6 |
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| 무거운 원자 수 | 26 |
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| 형식 전하 | 0 |
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| 복잡도 | 514 |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesFDA approved drugs -> Active ingredient |
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| Collision Cross Section | 193.9 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 4 (50%) |
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| Hepatotoxicity | Acrivastine has not been linked to liver enzyme elevations or to instances of clinically apparent liver injury. Its relative safety may relate to its rapid metabolism and use in low dosages. |
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| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)AcrivastineDILI NegativeOralDOI: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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