基本情報
- CAS
53926-89-9- 標準SMILES
CN1CCCCC1CCN1c2ccccc2S(=O)c2ccc(S(C)=O)cc21- InChIKey
DWOCAVXFXSJKQE-UHFFFAOYSA-N- 分子式
- C21H26N2O2S2
- 平均分子量
- 402.6 g/mol
- 単同位体質量
- 402.14357042
名称と識別子
- 優先名称
- Thioridazine disulfoxide
- IUPAC
- 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine 5-oxide
- 英語名
- Thioridazine EP Impurity D
- 分子式
- C21H26N2O2S2
- 分子量
- 402.57
名称と別名
Thioridazine disulfoxide53926-89-9Thioridazine EP Impurity DUNII-DB94QP0ZHWDB94QP0ZHWThioridazine specified impurity D [EP]10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine 5-oxideThioridazine hydrochloride specified impurity D [EP]10-(2-((2RS)-1-Methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine 5-oxide10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-, 5-oxide10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine 5-oxide10-[2-[(2RS)-1-Methylpiperidin-2-yl]ethyl]-2-(methylsulfinyl)-10H-phenothiazine 5-Oxide (Mesoridazine 5-Sulfoxide)
名称をさらに表示
Thioridazine Hydrochloride Impurity DThioridazine Hydrochloride EP Impurity DThioridazine Impurity 4 (Thioridazine EP Impurity D)Thioridazine EP Impurity D (Mixture ofDiastereomers)10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-, 5-oxide10-[2-[(2RS)-1-Methylpiperidin-2-yl]ethyl]-2-(methylsulfinyl)-10H-phenothiazine 5-oxide10-[2-[(2RS)-1-Methylpiperidin-2-yl]ethyl]-2-(methylsulfinyl)-10H-phenothiazine 5-Oxide (Mesoridazin
orb3214521SCHEMBL41923795DWOCAVXFXSJKQE-UHFFFAOYSA-NDTXSID201023873THIORIDAZINE IMPURITY D [EP IMPURITY]Q27276310THIORIDAZINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl-phenothiazine 5-oxide
データベース識別子
- CAS
53926-89-9- PubChem CID
- 567069
- DTXSID
DTXSID201023873- UNII
- DB94QP0ZHW
- Nikkaji
- J543.820I
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 89.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 572
物理化学的性質
- 融点
- 90 · 90-110 °C
- 沸点
- 619.8 · 619.8±55.0 °C(Predicted)
- 比重(密度)
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 9.82 · 9.82±0.10(Predicted)
- 色
- Off-White to Pale Yellow
化学と産業
応用分野
使用Thioridazine Disulfoxide is the product of photo-oxidation of Thioridazine. (T368800). Thioridazine HCl is a dopamine receptor blocker and antipsychotic. It is the parent compound of sulforidazine and mesoridazine. This compound has been reported to bind strongly to dopamine receptors on cancer stem cells and cause differentiation leaving normal cells alone.
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