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54739-18-3 分子结构
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(E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine

ChemBase编号:61
分子式:C15H21F3N2O2
平均质量:318.3346496
单一同位素质量:318.15551258
SMILES和InChIs

SMILES:
FC(F)(F)c1ccc(/C(=N/OCCN)/CCCCOC)cc1
Canonical SMILES:
NCCO/N=C(/c1ccc(cc1)C(F)(F)F)\CCCCOC
InChI:
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3
InChIKey:
CJOFXWAVKWHTFT-UHFFFAOYSA-N

引用这个纪录

CBID:61 http://www.chembase.cn/molecule-61.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
(E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
IUPAC传统名
fluvoxamine
luvox
商标名
Dumirox
Faverin
Fevarin
Floxyfral
Luvox
Maveral
Dumyrox
Luvox, Floxyfral
别名
(E)-5-(Methoxy-d3)-1-[4-(triflurormethyl)phenyl]-1-pentanone O-(2-Aminoethyl)oxime
FluvoxamineAlso See: F603500
(E)-5-Methoxy-1-(4-(trifluoroMethyl)phenyl)pentan-1-one O-(2-aMinoethyl) oxiMe
Fluvoxamina [INN-Spanish]
Fluvoxamine maleate
Fluvoxaminum [INN-Latin]
fluvoxamine
fluvoxamine-CR
Fluvoxamine
CAS号
54739-18-3
PubChem SID
160963524
46507588
PubChem CID
5324346
CHEBI ID
5138
ATC码
N06AB08
CHEMBL
814
Chemspider ID
4481878
DrugBank ID
DB00176
KEGG ID
D07984
美国药典/FDA物质标识码
O4L1XPO44W
维基百科标题
Fluvoxamine
Medline Plus
a682275

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
质子受体 质子供体
LogD (pH = 5.5) -0.14645693  LogD (pH = 7.4) 1.0475725 
Log P 2.7953196  摩尔折射率 79.1971 cm3
极化性 29.756128 Å3 极化表面积 56.84 Å2
可自由旋转的化学键 10  里宾斯基五规则 true 
Log P 2.89  LOG S -4.64 
溶解度 7.34e-03 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
Chloroform expand 查看数据来源
Dichloromethane expand 查看数据来源
Petroleum Ether expand 查看数据来源
外观
Colourless Oil expand 查看数据来源
疏水性(logP)
3.2 expand 查看数据来源
保存条件
-20°C Freezer, Under Inert Atmosphere 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 expand 查看数据来源
生物利用度
77% expand 查看数据来源
排泄
Renal expand 查看数据来源
半衰期
15.6 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 (US) expand 查看数据来源
S4 (Australia) expand 查看数据来源
妊娠期药物分类
C expand 查看数据来源
纯度
97% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia TRC TRC
DrugBank -  DB00176 external link
Item Information
Drug Groups approved; investigational
Description Fluvoxamine is an antidepressant which functions pharmacologically as a selective serotonin reuptake inhibitor. Though it is in the same class as other SSRI drugs, it is most often used to treat obsessive-compulsive disorder.
Fluvoxamine has been in use in clinical practice since 1983 and has a clinical trial database comprised of approximately 35,000 patients. It was launched in the US in December 1994 and in Japan in June 1999. As of the end of 1995, more than 10 million patients worldwide have been treated with fluvoxamine.
Indication For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa.
Pharmacology Fluvoxamine, an aralkylketone-derivative agent, is one of a class of antidepressants known as selective serotonin reuptake inhibitors (SSRIs) that differs structurally from other SSRIs. It is used to treat the depression associated with mood disorders. It is also used on occassion in the treatment of body dysmorphic disorder and anxiety. The antidepressant, antiobsessive-compulsive, and antibulimic actions of Fluvoxamine are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. In vitro studies show that Fluvoxamine is a potent and selective inhibitor of neuronal serotonin reuptake and has only very weak effects on norepinephrine and dopamine neuronal reuptake. Fluvoxamine has no significant affinity for adrenergic (alpha1, alpha2, beta), cholinergic, GABA, dopaminergic, histaminergic, serotonergic (5HT1A, 5HT1B, 5HT2), or benzodiazepine receptors; antagonism of such receptors has been hypothesized to be associated with various anticholinergic, sedative, and cardiovascular effects for other psychotropic drugs. The chronic administration of Fluvoxamine was found to downregulate brain norepinephrine receptors, as has been observed with other drugs effective in the treatment of major depressive disorder. Fluvoxamine does not inhibit monoamine oxidase.
Toxicity Side effects include anorexia, constipation, dry mouth, headache, nausea, nervousness, skin rash, sleep problems, somnolence, liver toxicity, mania, increase urination, seizures, sweating increase, tremors, or Tourette's syndrome.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption Well absorbed, bioavailability of fluvoxamine maleate is 53%.
Half Life 15.6 hours
Protein Binding ~77-80% (plasma protein)
Elimination The main human metabolite was fluvoxamine acid which, together with its N-acetylated analog, accounted for about 60% of the urinary excretion products. Approximately 2% of fluvoxamine was excreted in urine unchanged. Following a 14C-labelled oral dose of fluvoxamine maleate (5 mg), an average of 94% of drug-related products was recovered in the urine within 71 hours.
Distribution * 25 L/kg
References
Dell'Osso B, Allen A, Hollander E: Fluvoxamine: a selective serotonin re-uptake inhibitor for the treatment of obsessive-compulsive disorder. Expert Opin Pharmacother. 2005 Dec;6(15):2727-40. [Pubmed]
Irons J: Fluvoxamine in the treatment of anxiety disorders. Neuropsychiatr Dis Treat. 2005 Dec;1(4):289-99. [Pubmed]
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Toronto Research Chemicals -  F603501 external link
A selective serotonin reuptake inhibitor (SSRI) used as an anti-depressant.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Dell'Osso B, Allen A, Hollander E: Fluvoxamine: a selective serotonin re-uptake inhibitor for the treatment of obsessive-compulsive disorder. Expert Opin Pharmacother. 2005 Dec;6(15):2727-40. Pubmed
  • Irons J: Fluvoxamine in the treatment of anxiety disorders. Neuropsychiatr Dis Treat. 2005 Dec;1(4):289-99. Pubmed
  • Claassen, V., et al.: Br. J. Pharmacol., 60, 505 (1977)
  • Koran, L.M., et al.: J. Clin. Psychopharmacol., 16, 121 (1977)
  • Ware, M.R., et al.: J. Clin. Psychiatry, 58, Suppl. 5, 15 (1977)
  • Inazu, M., et al.: Neurochem. Int., 39, 39 (2001).
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专利

专利

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