基本情報
- CAS
562-10-7- 標準SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O- InChIKey
KBAUFVUYFNWQFM-UHFFFAOYSA-N- 分子式
- C17H22N2O.C4H6O4
- 平均分子量
- 388.5 g/mol
- 単同位体質量
- 388.199822
概要
Doxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992)
名称と識別子
- 優先名称
- Donormil
- IUPAC
- butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
- 現地名
- コハク酸ドキシラミン
- 英語名
- Doxylamine succinate
- 分子式
- C21H28N2O5
- 分子量
- 388.46
名称と別名
Doxylamine succinate562-10-7DecaprynGittalunUnisomHoggar NDoxy-sleep-aidA-H InjectionDonormilMereprineSedaplusDoxylamine succinate (1:1)
名称をさらに表示
ドキシルアミンこはく酸塩N,N-ジメチル-2-[1-フェニル-1-(2-ピリジニル)エトキシ]エタンアミン·こはく酸デカプリンこはく酸塩こはく酸ドキシルアミンドキシラミンスクシナートこはく酸デカプリンドキシラミン コハク酸塩コハク酸ドキシラミンN,N-ジメチル-2-[1-フェニル-1-(2-ピリジニル)エトキシ]エタンアミン・こはく酸hoggarnalsadormDoxylaMineSuccinatDecapryn succinate
AlsodormDonormylDormidinaMeraprinaDecapryn succinate (1:1)Topcare sleep aidDTXSID7020552V9BI9B5YI2
データベース識別子
- CAS
562-10-7- PubChem CID
- 11224
- DTXSID
DTXSID7020552- ChEMBL
CHEMBL1200392
物性
構造計算による物性
- 極性表面積
- 100 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
- 9
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 369
実験および物理化学的性質
Solubility
greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
>58.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Melting Point217 to 226 °F (NTP, 1992)
Physical DescriptionDoxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992)
Collision Cross Section162.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 95 · 95-98C
- 闪点
- 9 ℃ · 9℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水に非常に溶けやすく、エタノールに溶けやすい (96%)。
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 安定性
- 安定していますが、光に敏感な場合があります。強力な酸化剤、酸、塩基とは相容れない。
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
This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.
Warning
H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 88 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Other Safety InformationIMAP assessments - Butanedioic acid, compound with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1): Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include drowsiness, excitability, nervousness, dizziness and sleeplessness. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.
化学と産業
薬理情報
FDA Pharmacological Classification
DOXYLAMINE SUCCINATE
Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]
NIGHTTIME SLEEP AID
Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]; Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
SLEEP AID
Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
応用分野
使用Doxylamine succinate salt has been used as a therapeutic drug to check developmental toxicity.
一般的な説明The acid succinate salt (bisuccinate)of doxylamine, 2-[ -[2-(dimethylamino)ethoxy]- -methylbenzyl]pyridine bisuccinate (Decapryn Succinate), isa white to creamy-white powder with a characteristic odor.It is soluble in water (1:1), alcohol (1:2), and chloroform(1:2). A 1% solution has a pH of about 5.Doxylamine succinate is comparable in potency todiphenhydramine. It is indicated for the relief of seasonalrhinitis symptoms, but is also used as a nighttime sedative.Concurrent use of alcohol and other CNS depressantsshould be avoided.
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