CAS 52468-60-7|CAS 30484-77-6|1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine|1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine|Vertix|Issium|Flunarizinum [inn-latin]|Flunar...

基本信息

化学结构

分子式

C₂₆H₂₆F₂N₂

分子量

404.4948464

精确质量

404.20640528

电荷

InChI

InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+

InChIKey

SMANXXCATUTDDT-QPJJXVBHSA-N

Canonic Smiles

Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1

Isomeric Smiles

Fc1ccc(C(N2CCN(CC2)C/C=C/c2ccccc2)c2ccc(F)cc2)cc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.0807085

LogD (pH = 7.4)

5.754555

Log P

6.165795

摩尔折射率

120.2976

极化性

45.707912

极化表面积

6.48

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

5.3

LOG S

-5.38

溶解度

1.68e-03 g/l

数据来源

名称和标识

别名

Flunarizinum [inn-latin]Flunarizine Hydrochloride1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazineFlunarizina [inn-spanish]Flunarizineflunarizine dihydrochloride(E)-1-[Bis-(p-fluorophenyl)methyl]-4-cinnamylpiperazine1-[''bis''(4-fluorophenyl)methyl]-4-cinnamyl-piperazineFluxarten1-[Bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine HydrochlorideGradientIssiumDinaplexFlunagenFlunarizine DihydrochlorideR 14950FlunarlFlugeralMondusFlunarizine4',4''-Difluorocinnarizine1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine

商标名

Novo-FlunarizineIssiumVertixFluvertSibeliumApo-flunarizine capsulesZinasenFlufenal

IUPAC标准名

1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine

IUPAC传统名

flunarizine 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

名称和标识

数据登录号

PubChem CID

PubChem SID

CAS号

美国药典/FDA物质标识码

KEGG ID

Chemspider ID

DrugBank ID

CHEMBL

维基百科标题

ATC码

数据登录号

化合物性质

理化性质

溶解度

Chloroform

Methanol

外观

White Solid

熔点

188-190°C (dec.)

产品相关信息

质检报告

下载链接

应用领域

Effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

It may help to reduce the severity and duration of attacks of paralysis associated with the more serious form of alternating hemiplegia.

安全信息

保存条件

Refrigerator

MSDS下载

下载链接

药理学性质

生物活性机理

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity

Calcium channel blocker

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Wikipedia

Flunarizine

DrugBank

DB04841

Drug Groups

approved

Description

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

Indication

Used in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

Pharmacology

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic, to two metabolites via N-dealylation and hydroxylation.

Absorption

85% following oral administration.

Half Life

18 days

Protein Binding

99% bound to plasma proteins

External Links

• [Wikipedia]

TRC

F455200

Calcium channel blocker; fluorinated derivative of Cinnarizine. Vasodilator (cerebral and peripheral).

描述信息

参考文献

PubChem文献

数据源提供

• Desmedt, L.K., et al.: Arzneim.-Forsch., 25, 1408 (1975)

• Nihard, P., et al.: Angiology, 33, 37 (1975)

• Godfraind, T., et al.: Eur. J. Pharmacol., 53, 273 (1975)

• Holmes, B., et al.: Drugs, 27, 6 (1975)

• Ger. Pat., 1972, 2 220 242; CA, 78, 29815r, (synth)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 939

• Marini, D. et al., Boll. Chim. Farm., 1984, 123, 133, (struct, uv, ir)

• Holmes, B. et al., Drugs, 1984, 29, 6, (rev, pharmacol)

• Schmidt, R. et al., J. Cardiovasc. Pharmacol., (Suppl. 8), 1991, 18, S27, (rev)

• Amery, W.K. et al., Drugs Exp. Clin. Res., 1981, 7, 1, (pharmacol)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 7382, (synonyms)

• Xiang, M. et al., CA, 1985, 102, 78835, (synth)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FDD080

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

商标名

Novo-FlunarizineIssiumVertixFluvertSibeliumApo-flunarizine capsulesZinasenFlufenal

IUPAC标准名

1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine

IUPAC传统名

flunarizine 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

数据登录号

PubChem CID

PubChem SID

CAS号

美国药典/FDA物质标识码

KEGG ID

Chemspider ID

DrugBank ID

CHEMBL

维基百科标题

ATC码

化合物性质

理化性质

溶解度

Chloroform

Methanol

外观

White Solid

熔点

188-190°C (dec.)

产品相关信息

质检报告

下载链接

应用领域

Effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

It may help to reduce the severity and duration of attacks of paralysis associated with the more serious form of alternating hemiplegia.

安全信息

保存条件

Refrigerator

MSDS下载

下载链接

药理学性质

生物活性机理

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity

Calcium channel blocker

描述信息

Wikipedia

Flunarizine

DrugBank

DB04841

Drug Groups

approved

Description

Indication

Used in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

Pharmacology

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic, to two metabolites via N-dealylation and hydroxylation.

Absorption

85% following oral administration.

Half Life

18 days

Protein Binding

99% bound to plasma proteins

External Links

• [Wikipedia]

TRC

F455200

Calcium channel blocker; fluorinated derivative of Cinnarizine. Vasodilator (cerebral and peripheral).

参考文献

PubChem文献

数据源提供

• Desmedt, L.K., et al.: Arzneim.-Forsch., 25, 1408 (1975)

• Nihard, P., et al.: Angiology, 33, 37 (1975)

• Godfraind, T., et al.: Eur. J. Pharmacol., 53, 273 (1975)

• Holmes, B., et al.: Drugs, 27, 6 (1975)

• Ger. Pat., 1972, 2 220 242; CA, 78, 29815r, (synth)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 939

• Marini, D. et al., Boll. Chim. Farm., 1984, 123, 133, (struct, uv, ir)

• Holmes, B. et al., Drugs, 1984, 29, 6, (rev, pharmacol)

• Schmidt, R. et al., J. Cardiovasc. Pharmacol., (Suppl. 8), 1991, 18, S27, (rev)

• Amery, W.K. et al., Drugs Exp. Clin. Res., 1981, 7, 1, (pharmacol)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 7382, (synonyms)

• Xiang, M. et al., CA, 1985, 102, 78835, (synth)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FDD080

生物活性

PubChem BioAssay

化合物信息

ID:4385