識別子と物理属性
| CAS No. | 79559-97-0 |
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| 分子式 | C17H18Cl3N |
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| 平均分子量 | 342.7 g/mol |
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| 単同位体質量 | 341.05048262 g/mol |
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| SMILES | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl |
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| InChIKey | BLFQGGGGFNSJKA-XHXSRVRCSA-N |
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| PubChem CID | 63009 |
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| ChEMBL | CHEMBL1709 |
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| ChEBI | CHEBI:9124 |
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| EC No. | 616-702-0 |
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| DTXSID | DTXSID1040243 |
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化学・物理的性質
| 極性表面積 | 12 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 21 |
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| 形式電荷 | 0 |
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| 複雑度 | 322 |
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| Human Drugs | FDA approved drugs -> Active ingredient |
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| Collision Cross Section | 168.1 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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安全性と法規制
| GHS 分類 | WarningH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 116 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | (+)-Sertraline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (99.1%) |
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| Treatment | Treatment should consist of those general measures employed in the management of overdosage with any antidepressant. Ensure an adequate airway, oxygenation and ventilation. Monitor cardiac rhythm and vital signs. General supportive and symptomatic measures are also recommended. Induction of emesis is not recommended. Gastric lavage with a large-bore orogastric tube with appropriate airway protection, if needed, may be indicated if performed soon after ingestion, or in symptomatic patients. Activated charcoal should be administered. Due to large volume of distribution of this drug, forced diuresis, dialysis, hemoperfusion and exchange transfusion are unlikely to be of benefit. No specific antidotes for sertraline are known. (L1712) |
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| 暴露経路 | The effects of food on the bioavailability of the sertraline tablet and oral concentrate were studied in subjects administered a single dose with and without food. For the tablet, AUC was slightly increased when drug was administered with food but the Cmax was 25% greater, while the time to reach peak plasma concentration (Tmax) decreased from 8 hours post-dosing to 5.5 hours. For the oral concentrate, Tmax was slightly prolonged from 5.9 hours to 7.0 hours with food. |
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| 毒性の概要 | The exact mechanism of action sertraline is not fully known, but the drug appears to selectively inhibit the reuptake of serotonin at the presynaptic membrane. This results in an increased synaptic concentration of serotonin in the CNS, which leads to numerous functional changes associated with enhanced serotonergic neurotransmission. It is suggested that these modifications are responsible for the antidepressant action observed during long term administration of antidepressants. It has also been hypothesized that obsessive-compulsive disorder is caused by the dysregulation of serotonin, as it is treated by sertraline, and the drug corrects this imbalance. |
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| Signs and Symptoms | Symptoms of toxicity include alopecia, decreased libido, diarrhea, ejaculation disorder, fatigue, insomnia, somnolence and serotonin syndrome. |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Sertraline hydrochloridevLess-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
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