기본 정보
- CAS
98206-10-1- 표준 SMILES
O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1- InChIKey
NYSDRDDQELAVKP-SFHVURJKSA-N- 분자식
- C22H26FN3O4
- 평균 분자량
- 415.5 g/mol
- 단동위원소 질량
- 415.19073448
개요
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.
이름 및 식별자
- 우선 이름
- Flesinoxan
- IUPAC
- 4-fluoro-N-[2-[4-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]benzamide
- 영어명
- Flesinoxan
- 분자식
- C22H26FN3O4
- 분자량
- 415.46
이름 및 동의어
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)
이름 더 보기
N-[2-[4-[[(S)-2,3-Dihydro-2β-hydroxymethyl-1,4-benzodioxin]-5-yl]-1-piperazinyl]ethyl]-4-fluorobenzamideN-[2-[4-[[(R)-2,3-Dihydro-2α-hydroxymethyl-1,4-benzodioxin]-5-yl]-1-piperazinyl]ethyl]-4-fluorobenzamideN-(2-(4-((2R)-2,3-Dihydro-2-(hydroxymethyl)-1,4-benzodioxin-5-yl)-1-piperazinyl)ethyl)-4-fluorobenzamideBenzamide, N-[2-[4-[(2R)-2,3-dihydro-2-(hydroxymethyl)-1,4-benzodioxin-5-yl]-1-piperazinyl]ethyl]-4-fluoro-
(+)-(S)-p-Fluoro-N-(2-(4-(2-(hydroxymethyl)-1,4-benzodioxan-5-yl)-1-piperazinyl)ethyl)benzamide4-fluoro-N-[2-[4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]benzamideUNII-3V574S89E1(+)-flesinoxanFLESINOXAN [MI]GTPL1SCHEMBL220401CHEMBL1742477
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 74.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 635.8 · 635.8±55.0 °C(Predicted)
- 밀도
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 31.25 mg/mL · DMSO: 31.25 mg/mL (75.22 mM)
- 산도 계수 (pKa)
- 14.09 · 14.09±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
화학 및 산업
약리 정보
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.
상·하류 제품 정보
상류 원료
공급사9 곳
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