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146-56-5 分子结构
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2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol

ChemBase编号:505
分子式:C22H26F3N3OS
平均质量:437.5215496
单一同位素质量:437.17486813
SMILES和InChIs

SMILES:
S1c2c(N(CCCN3CCN(CC3)CCO)c3c1cccc3)cc(cc2)C(F)(F)F
Canonical SMILES:
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChI:
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKey:
PLDUPXSUYLZYBN-UHFFFAOYSA-N

引用这个纪录

CBID:505 http://www.chembase.cn/molecule-505.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol
IUPAC传统名
fluphenazine
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol
商标名
Apo-Fluphenazine
Elinol
Modecate
Moditen Enanthate
Moditen Hcl
Permitil Concentrate
Prolixin
Prolixin Concentrate
Prolixin Enanthate
Prolixine
Sevinol
Siqualine
Siqualon
Vespazine
Yespazine
别名
Triflumethazine
Fluphenazine Hcl
Fluphenazine Decanoate
Fluorphenazine
Fluorophenazine
Fluorfenazine
Fluphenazine
4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol Dihydrochloride
4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazineethanol Dihydrochloride
Anatensol
Dapotum
Flufenazin
Tensofin
Fluphenazine Dihydrochloride
Flufenazine
Fluphenazine
CAS号
146-56-5
69-23-8
PubChem SID
160963968
46506645
PubChem CID
3372
CHEBI ID
5123
ATC码
N05AB02
CHEMBL
726
Chemspider ID
3255
DrugBank ID
DB00623
IUPHAR配体索引
204
KEGG ID
D07977
美国药典/FDA物质标识码
S79426A41Z
维基百科标题
Fluphenazine
Medline Plus
a682172

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 15.593098  质子受体
质子供体 LogD (pH = 5.5) 1.3181694 
LogD (pH = 7.4) 3.0929255  Log P 3.9658215 
摩尔折射率 117.2676 cm3 极化性 43.838596 Å3
极化表面积 29.95 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 4.4  LOG S -4.36 
溶解度 1.90e-02 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
31.1 mg/L expand 查看数据来源
DMSO expand 查看数据来源
Methanol expand 查看数据来源
外观
Off-White Solid expand 查看数据来源
熔点
200-202°C expand 查看数据来源
疏水性(logP)
4.2 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
给药途径
oral, IM, decanoate expand 查看数据来源
生物利用度
40% - 50% expand 查看数据来源
排泄
bile/feces expand 查看数据来源
半衰期
15 to 30 hours expand 查看数据来源
代谢
Hepatic expand 查看数据来源
法定药品分级
Rx-only expand 查看数据来源
妊娠期药物分类
C (US) expand 查看数据来源
生物活性机理
Calmodulin-antagonist expand 查看数据来源
Dopamine-antagonist expand 查看数据来源
Dopamine-release inhibitor expand 查看数据来源
Dopamine-turnover stimulant in the forebrain expand 查看数据来源
Increases neuronal firing-rate in the midbrain expand 查看数据来源
Mechanism of action not fully understood. expand 查看数据来源
Postsynaptic dopamine-antagonist in: basal ganglia; hypothalamus; limbic-system; brain-stem; medulla expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Neuroleptic expand 查看数据来源
Psychosedative expand 查看数据来源
Tranquilliser expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia TRC TRC
DrugBank -  DB00623 external link
Item Information
Drug Groups approved
Description A phenothiazine used in the treatment of psychoses. Its properties and uses are generally similar to those of chlorpromazine. [PubChem]
Indication For management of manifestations of psychotic disorders.
Pharmacology Fluphenazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Fluphenazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Anderson, E.L., et al.: Arzneim.-Forsch., 12, 937 (1962)
  • Dreyfuss, J., et al.: J. Pharm. Sci., 60, 826 (1962)
  • Florey, K., et al.: Anal. Profiles Drug Subs., 2, 245 (1962)
  • Yale, H.L. et al., J.A.C.S., 1960, 82, 2039, (synth)
  • U.K. Pat., 1960, 829 246; CA, 54, 17428
  • U.K. Pat., 1960, 833 473; CA, 54, 21143
  • Ger. Pat., 1964, 1 165 602; CA, 60, 15886, (deriv)
  • U.S. Pat., 1965, 3 194 733; CA, 64, 5114, (derivs)
  • Gowda, H.S. et al., Rev. Roum. Chim., 1977, 22, 745; CA, 87, 126635a, (use)
  • Curry, S.H. et al., Br. J. Clin. Pharmacol., 1979, 7, 325, (metab)
  • Kreyenbuehl, B. et al., Pharm. Acta Helv., 1979, 54, 197, (uv, ir)
  • Clarke, G., Anal. Profiles Drug Subst., 1980, 9, 275, (rev, decanoate)
  • Shetty, H.U. et al., Biomed. Mass Spectrom., 1983, 10, 601, (ms)
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6546; 7787; 7963, (synonyms)
  • Phenothiazines and 1,4-Benzothiazines, (ed. Gupta, R.R.), Elsevier, Amsterdam, 1988, (book, pharmacol)
  • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 596
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FMP000; PMI250; TJW500
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专利

专利

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