基本情報
- CAS
98206-10-1- 標準SMILES
O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1- InChIKey
NYSDRDDQELAVKP-SFHVURJKSA-N- 分子式
- C22H26FN3O4
- 平均分子量
- 415.5 g/mol
- 単同位体質量
- 415.19073448
概要
Flesinoxan is a small molecule drug. The usage of the INN stem '-oxan(e)' in the name indicates that Flesinoxan is a benzodioxane derivative. Flesinoxan has a monoisotopic molecular weight of 415.19 Da.
名称と識別子
- 優先名称
- Flesinoxan
- IUPAC
- 4-fluoro-N-[2-[4-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]benzamide
- 現地名
- フレシノキサン
- 英語名
- Flesinoxan
- 分子式
- C22H26FN3O4
- 分子量
- 415.46
名称と別名
Flesinoxan98206-10-1flesinoxano3V574S89E1flesinoxanum4-fluoro-N-(2-(4-((3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl)piperazin-1-yl)ethyl)benzamide4-fluoro-N-[2-[4-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperazin-1-yl]ethyl]benzamideRefChem:140696p-fluoro-N-(2-(4-(2-(hydroxymethyl)-1,4-benzodioxan-5-yl)-1-piperazinyl)ethyl)benzamideFlesinoxan [INN]4-fluoro-N-[2-[4-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]benzamideFlesinoxan (INN)
名称をさらに表示
(+)-フレシノキサン(±)-フレシノキサンN-[2-[4-[[(R)-2,3-ジヒドロ-2-(ヒドロキシメチル)-1,4-ベンゾジオキシン]-5-イル]-1-ピペラジニル]エチル]-4-フルオロベンズアミド(-)-フレシノキサンrac-N-[2-[4-[[(R*)-2,3-ジヒドロ-2α*-ヒドロキシメチル-1,4-ベンゾジオキシン]-5-イル]-1-ピペラジニル]エチル]-4-フルオロベンズアミドN-[2-[4-[[(S)-2,3-ジヒドロ-2β-ヒドロキシメチル-1,4-ベンゾジオキシン]-5-イル]-1-ピペラジニル]エチル]-4-フルオロベンズアミドフレシノキサンフレジノキサンN-[2-[4-[[(R)-2,3-ジヒドロ-2α-ヒドロキシメチル-1,4-ベンゾジオキシン]-5-イル]-1-ピペラジニル]エチル]-4-フルオロベンズアミド
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 74.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 6
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 553
物理化学的性質
- 比旋光度
- 26 ° · D +26° (c = 1 in methanol)
- 沸点
- 635.8 · 635.8±55.0 °C(Predicted)
- 比重(密度)
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 31.25 mg/mL · DMSO: 31.25 mg/mL (75.22 mM)
- 酸解離定数(Pka)
- 14.09 · 14.09±0.10(Predicted)
- 外見
- Solid
- 色
- Off-white to light yellow
化学と産業
薬理情報
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
上流・下流製品情報
上流原料
サプライヤー9 社
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
関連反応
1 件
化合物ノート
読み込み中…