基本情報
- CAS
386750-22-7- 標準SMILES
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)CCC(=O)O- InChIKey
PWPDEXVGKDEKTE-UHFFFAOYSA-N- 分子式
- C20H33NO7
- 平均分子量
- 399.5 g/mol
- 単同位体質量
- 399.2257024
概要
Desvenlafaxine Succinate is the succinate salt form of desvenlafaxine, a synthetic phenethylamine bicyclic derivative with antidepressant activity. Desvenlafaxine is a selective reuptake inhibitor of serotonin and norepinephrine due to its high binding affinities to the pre-synaptic serotonin and norepinephrine transporters. By blocking both transporters, this agent prolongs neurotransmitter activities of both serotonin and norepinephrine, thereby alleviating depressive state.
名称と識別子
- 優先名称
- Desvenlafaxine Succinate
- IUPAC
- butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
- 現地名
- デスベンラファキシンコハク酸塩水和物
- 英語名
- Desvenlafaxine succinate Monohydrate
- 分子式
- C20H31NO6
- 分子量
- 381.47
名称と別名
386750-22-7PristiqDesvenlafaxine succinate monohydrateDesvenlafaxine succinate hydrateDVS-233ZB22ENF0XRWy-45233Wy 45233DTXSID70959511O-DESMETHYL VENLAFAXINE SUCCINATEO-desmethylvenlafaxine Succinate MonohydrateButanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate
名称をさらに表示
デスベンラファキシンコハク酸塩水和物デスベンラファキシンコハク酸塩水和物 (JAN)Desvenlafaxine succinateO-Desmethylvenlafaxine succinate hydrateUnii-zb22enf0xrWY 45233 succinateDesvenla succinateNorvenlafaxine succinatePristiq succinate hydrateC16H25NO2.HOOCCH2CH2COOH.H2ODesvenlafaxine (succinate hydrate)
DESVENLAFAXINE ERPristiq Extended-releaseRefChem:57730Succinate, DesvenlafaxineO desmethylvenlafaxine SuccinateSuccinate, O-desmethylvenlafaxineDTXCID301436158WY45,233
物性
構造計算による物性
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 359
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 貯蔵温度
- 4 °C · Store at +4°C
- 溶解性
- 3 · DMSO:3.0(Max Conc. mg/mL);7.51(Max Conc. mM)
- 外見
- Powder
- 色
- White to off-white
- 安定性
- Hygroscopic
- 主な用途
- 医薬品（低分子化合物）
- InChI
- InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
- InChIKey
- ORUUBRMVQCKYHB-UHFFFAOYSA-N
- SMILES
- C(C(=O)O)CC(=O)O.C(C1C=CC(O)=CC=1)(C1(CCCCC1)O)CN(C)C
化学的性質
化学的特性Desvenlafaxine succinate (Pristiq SR) is an extended-release tablet for oral administration that contains desvenlafaxine succinate, a structurally novel SNRI for treating MDD. Desvenlafaxine succinate is a white to off-white powder that is soluble in water. The solubility of Desvenlafaxine succinate is pH-dependent. Its octanol: aqueous system (at pH 7.0) partition coefficient is 0.21. Desvenlafaxine succinate (Pristiq SR) is available as a 50 mg extended-release tablet for oral administration. The 50 mg tablet consists of light pink, square (pyramid, one-sided), film-coated tablets debossed “W” over “50” on the flat side.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (84%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Desvenlafaxine succinate
vLess-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
安全データ
- wgk
- WGK 3
- hs_code
- 2922504500
- Hazard Classifications
- Aquatic Chronic 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
FDA Pharmacological Classification
DESVENLAFAXINE ER
Cytochrome P450 2D6 Inhibitors [MoA]; Serotonin and Norepinephrine Reuptake Inhibitor [EPC]; Norepinephrine Uptake Inhibitors [MoA]; Serotonin Uptake Inhibitors [MoA]
DESVENLAFAXINE SUCCINATE
Cytochrome P450 2D6 Inhibitors [MoA]; Serotonin and Norepinephrine Reuptake Inhibitor [EPC]; Norepinephrine Uptake Inhibitors [MoA]; Serotonin Uptake Inhibitors [MoA]
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 that selectively block or suppress the plasma membrane transport of SEROTONIN and NORADRENALINE into axon terminals and are used as ANTIDEPRESSIVE AGENTS.
応用分野
用途セロトニン / ノルアドレナリンの再取り込み阻害剤です（SNRI）。 SERT 及び NET に選択的です（Ki 値＝ 40.2 nM（SERT）、558.4 nM（NET））。 ［3H］5-HT 及び［3H］NE の取り込みを阻害します。Venlafaxine の主要な活性代謝物のコハク酸塩体です。
説明Desvenlafaxine Succinate is a dual serotonin and norepinephrine reuptake inhibitor (SNRI) that was approved for the treatment of major depressive disorder (MDD) in the United States in 2008. In order to improve the efficacy and safety profile of venlafaxine, Wyeth discovered and developed one of the major metabolites of venlafaxine, namely the O-desmethyl metabolite (desvenlafaxine). Desvenlafaxine is also being developed for the treatment of moderate to severe vasomotor symptoms associated with menopause (i.e., hot flashes and night sweats) and is also in phase III clinical trials to study it’s effectiveness in treating fibromyalgia and neuropathic pain.
使用Antianxiety therapeutic
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