基本情報
- CAS
35604-67-2- 標準SMILES
CCOc1ccccc1OCC1CNCCO1.Cl- InChIKey
HJOCKFVCMLCPTP-UHFFFAOYSA-N- 分子式
- C13H20ClNO3
- 平均分子量
- 273.75 g/mol
- 単同位体質量
- 273.1131712
概要
See also: Viloxazine (has active moiety).
名称と識別子
- 優先名称
- Viloxazine Hydrochloride
- IUPAC
- 2-[(2-ethoxyphenoxy)methyl]morpholine;hydrochloride
- 現地名
- ヴィロキサジン塩酸塩
- 英語名
- 2-[(2-ethoxyphenoxy)methyl]morpholine hydrochloride
- 分子式
- C13H20ClNO3
- 分子量
- 273.7558
名称と別名
Viloxazine hydrochloride35604-67-2Viloxazine HClVivalanQelbreeICI 58,834DTXSID8057722SPN-8122-((o-Ethoxyphenoxy)methyl)morpholine hydrochlorideOQW30I1332Morpholine, 2-[(2-ethoxyphenoxy)methyl]-, hydrochlorideICI-58834
名称をさらに表示
2-[(2-エトキシフェノキシ)メチル]モルホリン·塩酸塩ビバランビロキサジン塩酸塩塩酸ビロキサジンRAC ビロキサジン塩酸塩ヴィロキサジン塩酸塩2-[(2-エトキシフェノキシ)メチル]モルホリン・塩酸塩VivilanCatatrolVivarintViloxazin HydrochlorideAdrenaline Impurity 43-13C6
DTXCID9031511Morpholine, 2-((2-ethoxyphenoxy)methyl)-, hydrochloride2-[(O-Ethoxyphenoxy)methyl]morpholine hydrochlorideRefChem:56628252-638-62-((2-Ethoxyphenoxy)methyl)morpholine hydrochloriderac Viloxazine HydrochlorideVicilan
データベース識別子
- CAS
35604-67-2- PubChem CID
- 71424
- DTXSID
DTXSID8057722
物性
構造計算による物性
- 極性表面積
- 39.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 213
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Adrenergic Uptake Inhibitors
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 178 · 178-180°C
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- InChI
- InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H
- InChIKey
- HJOCKFVCMLCPTP-UHFFFAOYSA-N
- SMILES
- C1(C=CC=CC=1OCC)OCC1OCCNC1.Cl
化学的性質
化学的特性Off-White Solid
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationMorpholine, 2-(2-ethoxyphenoxy)methyl-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Viloxazine hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- 毒性
- LD50 in mice (mg/kg): 1000 orally, 60 i.v. (Brosnan)
- hazard_class
- IRRITANT
化学と産業
薬理情報
FDA Pharmacological Classification
VILOXAZINE HYDROCHLORIDE
Cytochrome P450 1A2 Inhibitors [MoA]; Cytochrome P450 2B6 Inhibitors [MoA]; Cytochrome P450 2D6 Inhibitors [MoA]; Cytochrome P450 3A4 Inhibitors [MoA]; Norepinephrine Uptake Inhibitors [MoA]; Norepinephrine Reuptake Inhibitor [EPC]
MeSH Pharmacological Classification
A structurally and mechanistically diverse group of drugs that are not tricyclics or monoamine oxidase inhibitors. The most clinically important appear to act selectively on serotonergic systems, especially by inhibiting serotonin reuptake.
Drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants (ANTIDEPRESSIVE AGENTS, TRICYCLIC) and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
上流・下流製品情報
上流原料
サプライヤー79 社
関連反応
2 件
化合物ノート
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