10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine hydrochloride

• ChemBase编号: 104708
• 分子式: C21H27ClN2S2
• 平均质量: 407.03548
• 单一同位素质量: 406.13041855
• SMILES: Cl.CSc1ccc2Sc3c(cccc3)N(CCC3CCCCN3C)c2c1
• Canonical SMILES: CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1.Cl
• InChI: InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H
• InChIKey: NZFNXWQNBYZDAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine hydrochloride
• IUPAC传统名: thioridazine hydrochloride
• 别名: 10-[2-(1-Methyl-2-piperidyl)ethyl]-2-(methylthio)-10H-phenothiazine hydrochloride; Thioridazine hydrochloride; 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylthio)-10H-phenothiazine Hydrochloride; 2-Methylmercapto-10-[2-(N-methyl-2-piperidyl)ethyl]phenothiazine Hydrochloride; Aldazine; Mellaril; Orsanil; Ridazin; Stalleril; 10-[2-(1-Methyl-2-piperidyl)-ethyl]-2-[methylthiol]-phenothiazine; THIORIDAZINE HYDROCHLORIDE

登记号

• CAS号: 130-61-0
• EC号: 204-992-8
• MDL号: MFCD00012655
• PubChem SID: 162091932; 24277944
• PubChem CID: 66062

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.3070333
• LogD (pH = 7.4): 3.9332237
• Log P: 5.469306
• 摩尔折射率: 113.5226 cm^3
• 极化性: 43.827343 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethanol; Methanol
• 外观: Pale Yellow Solid
• 熔点: 158-160°C; 161-163°C

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• RTECS编号: SP2275000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-36/37/38-50/53; R:22
• 安全公开号: 26-36-60-61; S:36/37/39
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335-H410
• GHS警示性声明: P261-P273-P305 + P351 + P338-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

药理学性质

• 作用靶点: Others
• 相关基因信息: human ... DRD2(1813)

产品相关信息

• 纯度: ≥99%; 98%; 99%
• 成盐信息: hydrochloride
• Empirical Formula (Hill Notation): C21H26N2S2 · HCl

详细说明

MP Biomedicals - 02156891

Hydrochloride
Purity: 98%
Calcium channel blocker and dopamine antagonist.

Sigma Aldrich - T9025

Biochem/physiol Actions
D2 dopamine receptor antagonist; phenothazine antipsychotic with reduced extrapyramidal side effects; Ca2+ channel blocker.

Toronto Research Chemicals - 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

参考文献

• Abdel-Moety, E.M., et al.: Anal. Profile Drug Subs., 18, 459 (1971)
• Goldenthal, E.I., Toxicol. Appl. Pharmacol., 18, 185 (1971)