Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
D-Thyroxine
D-T4 · DEBETROL · D-THYROXINE · of D-Thyroxine · dextrothyroxine · D-Thyroxine,97% · Thyroxine, D- (8CI) · D-thyroxine free acid
식별자 및 물리적 특성
| CAS No. | 51-49-0 |
|---|---|
| 분자식 | C15H11I4NO4 |
| 평균 분자량 | 776.87 g/mol |
| 단동위원소 질량 | 776.68669983 g/mol |
| SMILES | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
| InChIKey | XUIIKFGFIJCVMT-GFCCVEGCSA-N |
| PubChem CID | 8730 |
| ChEMBL | CHEMBL559 |
| ChEBI | CHEBI:30659 |
| EC No. | 200-102-7 |
| DTXSID | DTXSID60199000 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 92.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 420 |
| LogP(분배 계수) | 4 |
| 용해도 | 8.98e-03 g/L산성알코올(약간 용해됨), 산성수(약간 용해됨, 초음파 처리), 수성 염기(약간 용해됨) |
| 녹는점 | 235-236 °C235 - 236 °C~235 °C (dec.) |
| Physical Description | Solid |
| 끓는 점 | 576.3±50.0 °C(Predicted) |
| 밀도 | 2.4440 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 2.12±0.30(Predicted) |
| 색상 | 미색부터 베이지까지 |
| 안정성 | 흡습성 |
| InChI | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1 |
| InChIKey | XUIIKFGFIJCVMT-GFCCVEGCSA-N |
| SMILES | C(O)(=O)[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)N |
화학적 성질
beige to light grey powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.WarningH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 기타 안전 정보 | IMAP assessments - D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 20/21/22-40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36/37-36-22 |
| F 고인화성물질 | 8-10 |
용도
용도
One of the thyroid hormones involved in the maintenance of metabolic homeostasis. Synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid. Synthesis and secretion are regulated by the pituitary hormone (TSH). Deiodinated in peripheral tissues to the active metabolite, liothyronine. The D-form has very little activity as a thyroid hormone, but has been used to treat hyperlipidemia.