識別子と物理属性
| CAS No. | 87848-99-5 |
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| 分子式 | C22H24N2O2 |
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| 平均分子量 | 348.4 g/mol |
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| 単同位体質量 | 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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化学・物理的性質
| XLogP | 1.6 |
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| 極性表面積 | 53.4 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 6 |
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| 重原子数 | 26 |
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| 形式電荷 | 0 |
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| 複雑度 | 514 |
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| 医薬品 | 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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安全性と法規制
| GHS 分類 | 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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