(Z)-Flunarizine

HCID 1711971CAS 693765-11-6

基本情報

標準SMILES: Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1
InChIKey: SMANXXCATUTDDT-DAXSKMNVSA-N
分子式: C26H26F2N2
平均分子量: 404.5 g/mol

名称と識別子

優先名称: (Z)-Flunarizine
IUPAC: 1-[bis(4-fluorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
英語名: Flunarizine EP Impurity D
分子式: C26H26F2N2
分子量: 404.49

名称と別名

693765-11-6FLUNARIZINE IMPURITY DFlunarizine EP Impurity D(Z)-Flunarizine1-[Bis(4-fluorophenyl)methyl]-4-[(Z)-3-phenyl-2-propenyl]piperazine1-[bis(4-fluorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine(Z)-1-(bis(4-fluorophenyl)methyl)-4-(3-phenylallyl)piperazinePiperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenyl-2-propen-1-yl]-; Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenyl-2-propenyl]- (9CI); 1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenyl-2-propen-1-yl]piperazine; 1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-2-enyl]piperazine; (Z)-FlunarizineFlunarizine, (Z)-Tocris-0522Lopac-F-8257FLUNARIZINEIMPURITYD

名称をさらに表示

(Z)Sudan IFlunarizine Imp.DFlunarizine hydrochloride DFlunarizine EP Impurity D DiHClFlunarizine EP Impurity D(Hydrochloride)Flunarizine EP Impurity D（(Z)-Flunarizine）Flunarizine Impurity 4（Flunarizine EP Impurity D）(Z)-1-[bis(4-fluorophenyl)methyl]-4-(cinnamyl)piperazine

Z6Z4W9HSH3orb3181097CHEMBL1319373SCHEMBL16225927NCGC00015449-01NCGC00015449-02NCGC00018102-01NCGC00018102-02

データベース識別子

CAS: 693765-11-6
PubChem CID: 1711971
ChEMBL: CHEMBL1319373
UNII: Z6Z4W9HSH3
Nikkaji: J292.397A

物性

構造計算による物性

XLogP: 6
極性表面積: 6.5 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 30
形式電荷: 0
複雑度: 487

物理化学的性質

沸点: 511.3 · 511.3±50.0 °C(Predicted)
比重(密度): 1.17 · 1.170±0.06 g/cm3(Predicted)
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 6.99 · 6.99±0.10(Predicted)
外見: Thick Oil
色: Colourless to Yellow

化学と産業

応用分野

使用(Z)-Flunarizine is Z-isomer of Flunarizine(F455200, Dihydrochloride), which is a calcium channel blocker. Flunarizine is a fluorinated derivative of Cinnarizine and a vasodilator (cerebral and peripheral). EP Impurity C

上流・下流製品情報

上流原料

Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(2,2-dimethoxyethyl)-1-Piperazineacetaldehyde, 4-[bis(4-fluorophenyl)methyl]-フルナリジンフェニルマグネシウムクロリド (27%テトラヒドロフラン溶液, 約2mol/L)ベンジルトリフェニルホスホニウムクロリド

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