식별자 및 물리적 특성
| CAS No. | 15785-49-6 |
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| 분자식 | C15H12I3NO4 |
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| 평균 분자량 | 650.97 g/mol |
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| 단동위원소 질량 | 650.79005186 g/mol |
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| SMILES | N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O |
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| InChIKey | AUYYCJSJGJYCDS-LBPRGKRZSA-N |
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| PubChem CID | 5920 |
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| ChEMBL | CHEMBL1544 |
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| ChEBI | CHEBI:18258 |
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| EC No. | 229-999-3 |
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| DTXSID | DTXSID8023216 |
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화학 및 물리적 성질
| XLogP | 1.7 |
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| 극성 표면적 | 92.8 |
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| 수소 결합 공여자 수 | 3 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 23 |
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| 형식 전하 | 0 |
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| 복잡도 | 402 |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| LogP(분배 계수) | log Kow = 0.93 |
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| Color/Form | CRYSTALS |
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| 용해도 | Very slightly solubleIn water, 3.958 mg/l at 37 °C.Soluble in dilute alkalies with the formation of a brownish, water-soluble, sodium salt. Insoluble in propylene glycol.11.4 [ug/mL] (The mean of the results at pH 7.4) |
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| Human Drugs | Breast FeedingLactationMilk, HumanThyroid Hormones |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides, /hydrogen iodide/. |
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| Optical Rotation | Optical rotation = +21.5 deg at 29.5 °C/D (c = 4.75 in a mixture of 1 part N hydrogen chloride + 2 parts ethanol). |
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| Physical Description | Solid |
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| Dissociation Constants | 8.4 |
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안전 및 규제
| GHS 분류 | WarningH315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 174 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 기타 안전 정보 | IMAP assessments - L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-: Environment tier I assessment |
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| FDA 요건 | Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392). |
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| Special Reports | Hays MTJ Clin Endocrinol 63: 527 (1970). Absorption of triiodothyronine in man.Surks MI, et alJ Clin Invest 52: 805 (1973). Determination of iodothyronine absorption and conversion to L-thyroxine (T4) to L-triiodothyronine (T3) using a rate turnover technique. |
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| Hazard Classes and Categories | Skin Irrit. 2 (98.9%) |
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| 보관 조건 | Commercially available liothyronine sodium tablets should be stored in tight containers at a temperature less than 40 °C, preferably between 15-30 °C. Commercially available liothyronine sodium injection should be stored at 2-8 °C. /Liothyronine sodium/ |
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| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
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| 상호 작용 | USE OF PROPRANOLOL IN CONJUNCTION WITH REPLACEMENT THERAPY HAS BEEN REPORTED TO DECR RISK OF ARRHYTHMIA & ANGINA...THYROID COMPOUNDS THAT PRODUCE HYPERMETABOLIC STATE (LIOTHYRONINE...) INCR RATE OF DECAY OF VITAMIN K-DEPENDENT CLOTTING FACTORS, & IN PRESENCE OF ORAL ANTICOAGULANTS /EG, WARFARIN/, NORMAL COMPENSATION BY INCR SYNTHESIS IS PREVENTED. |
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