Fluphenazine N4'-oxide
基本情報
- CAS
1431868-11-9- 標準SMILES
[15NH2][13C@@H]([13CH2][13c]1[13cH][13c](I)[13c](Oc2cc(I)c(O)c(I)c2)[13c](I)[13cH]1)[13C](=O)O- InChIKey
XUIIKFGFIJCVMT-LPIUGHGLSA-N- 分子式
- C15H11I4NO4
- 平均分子量
- 786.8 g/mol
名称と識別子
- 優先名称
- Fluphenazine N4'-oxide
- IUPAC
- (2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)propanoic acid
- 英語名
- L-Thyroxine-13C9,15N
- 分子式
- C15H11I4NO4
- 分子量
- 786.8
名称と別名
1431868-11-9Fluphenazine N4'-oxideL-Thyroxine-13C9,15NLevothyroxine-13C9-15NL-Thyroxine-13C6,15N(2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)propanoic acid4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol 1-OxideO-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine-carboxy,alpha,beta,1,2,3,4,5,6-13C9-15NThyroxine Carboxy,?,?,1,2,3,4,5,6-13C9,15NC15H11I4NO4orb1693785AKOS040755227
名称をさらに表示
Thyroxine Carboxy,α,β,1,2,3,4,5,6-13C9,15NThyroxine Carboxy,alpha,beta,1,2,3,4,5,6-13C9,15NO-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine-carboxy,α,β,1,2,3,4,5,6-13C9-15N
HY-18341S3CS-0638230T36383(2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)propanoic acid
データベース識別子
- CAS
1431868-11-9
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 92.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 420
物理化学的性質
- 比重(密度)
- 2.636 · 2.636±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 0.14 mg/ml; · DMF: 0.14 mg/ml; DMSO: 2.5 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.50 mg/ml
- 外見
- A solid
化学と産業
応用分野
説明L-Thyroxine-13C9,15N is intended for use as an internal standard for the quantification of L-thyroxine by GC- or LC-MS. L-Thyroxine is a synthetic form of the thyroid hormone thyroxine. In vivo, L-thyroxine (0.9 and 2.7 μg) inhibits synthesis and release of thyrotropin induced by thyrotropin-releasing hormone from the anterior pituitary in mice. It also reverses decreases in levels of circulating thymic serum factor (FTS) and the number of T rosette-forming cells in an old age-induced mouse model of hypothyroidism. Formulations containing L-thyroxine have been used in the treatment of hypothyroidism.
使用Thyroxine Carboxy,α,β,1,2,3,4,5,6-13C9,15N is 13C and 15N labeled analogue of Thyroxine (T425600), which is one of the thyroid hormones involved in the maintenance of metabolic homeostasis.
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