識別子と物理属性
| CAS No. | 55-06-1 |
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| 分子式 | C15H11I3NNaO4 |
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| 平均分子量 | 672.95 g/mol |
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| 単同位体質量 | 672.77199611 g/mol |
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| SMILES | N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+] |
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| InChIKey | SBXXSUDPJJJJLC-YDALLXLXSA-M |
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| PubChem CID | 23666110 |
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| ChEMBL | CHEMBL1201119 |
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| ChEBI | CHEBI:6484 |
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| EC No. | 200-223-5 |
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| DTXSID | DTXSID8047505 |
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化学・物理的性質
| 極性表面積 | 95.6 |
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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 | 5 |
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| 回転可能結合数 | 5 |
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| 重原子数 | 24 |
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| 形式電荷 | 0 |
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| 複雑度 | 408 |
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| Human Drugs | FDA approved drugs -> Active ingredient |
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| Animal Drugs | Active Ingredients (Liothyronine Sodium) -> FDA Greenbook |
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| Collision Cross Section | 205.2 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 | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| その他の安全情報 | IMAP assessments - L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-, monosodium salt: Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (40%) |
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| 暴露経路 | 95% in 4 hours |
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| 毒性の概要 | The hormones, T<sub>4</sub> and T<sub>3</sub>, are tyrosine-based hormones produced by the thyroid gland. Iodine is an important component in their synthesis. The major form of thyroid hormone in the blood is thyroxine (T<sub>4</sub>). This is converted to the more active liothyronine form by deiodinases in peripheral tissues. Liothyronine acts on the body to increase the basal metabolic rate, affect protein synthesis and increase the body's sensitivity to catecholamines (such as adrenaline). The thyroid hormones are essential to proper development and differentiation of all cells of the human body. To various extents T<sub>4</sub> and T<sub>3</sub> regulate protein, fat and carbohydrate metabolism. Their most pronounced effect is on how human cells use energetic compounds. The thyroid hormone derivatives bind to the thyroid hormone receptors initially to initiate their downstream effects. |
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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)Liothyronine sodiumvNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
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