識別子と物理属性
| CAS No. | 60-02-6 |
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| 分子式 | C10H24N4O4S |
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| 平均分子量 | 296.39 g/mol |
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| 単同位体質量 | 296.15182643 g/mol |
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| SMILES | NC(N)=NCCN1CCCCCCC1.O=S(=O)(O)O |
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| InChIKey | YUFWAVFNITUSHI-UHFFFAOYSA-N |
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| PubChem CID | 86471 |
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| ChEMBL | CHEMBL1345 |
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| EC No. | 211-442-0 |
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| DTXSID | DTXSID20110019 |
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化学・物理的性質
| 極性表面積 | 151 |
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| 水素結合供与体数 | 4 |
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| 水素結合受容体数 | 6 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 19 |
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| 形式電荷 | 0 |
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| 複雑度 | 248 |
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| Human Drugs | FDA approved drugs -> Active ingredient |
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| Collision Cross Section | 144.2 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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| その他の安全情報 | IMAP assessments - Guanidine, [2-(hexahydro-1(2H)-azocinyl)ethyl]-, sulfate (1:1): Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Guanethidine monosulfatevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
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