基本情報
- CAS
6109-70-2- 標準SMILES
CC(=O)OC1CN2CCC1CC2.Cl- InChIKey
LWWSARSTZGNKGV-UHFFFAOYSA-N- 分子式
- C9H16ClNO2
- 平均分子量
- 205.68 g/mol
- 単同位体質量
- 205.0869564
名称と識別子
- 優先名称
- 1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
- 現地名
- アセクリジン·塩酸塩
- 英語名
- Aceclidine hydrochloride
- 分子式
- C9H16ClNO2
- 分子量
- 205.68
名称と別名
Aceclidine hydrochloride6109-70-2Aceclidine HCl3-Acetoxyquinuclidine hydrochlorideC 162 D3B22O325Q61-Azabicyclo(2.2.2)octan-3-ol, acetate (ester), hydrochloride1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)RefChem:551459228-071-5Quinuclidin-3-yl acetate hydrochlorideAceclidine (hydrochloride)
名称をさらに表示
1-アザビシクロ[2.2.2]オクタン-3-オールアセタート·塩酸塩アセクリジン·塩酸塩アセクリジン塩酸塩塩酸アセクリジンアセクリジン 塩酸塩1-アザビシクロ[2.2.2]オクタン-3-オールアセタート・塩酸塩アセクリジン・塩酸塩1-azabicyclo(2.2.2)octan-3-ol,acetate(ester),hydrochlorideAceclidineHClAceclidine hydochloride3-acetoxyquinuclidinehydrochlorideACECLIDINE HYDROCHLORIDE USP/EP/BPAcetate-3-quinuclidinol Hydrochloride3-Quinuclidinol acetate hydrochloride3-quinuclidinol,acetate(ester),hydrochloride
GlaucostatMFCD001362301-Azabicyclo[2.2.2]oct-3-yl acetate hydrochlorideDTXSID309765871-azabicyclo[2.2.2]octan-3-yl acetate;hydrochlorideAB03765SR-01000597817SR-01000597817-1
データベース識別子
- CAS
6109-70-2- PubChem CID
- 170367
- DTXSID
DTXSID30976587- ChEMBL
CHEMBL4303558- UNII
- 3B22O325Q6
- EC Number
- 228-071-5
物性
構造計算による物性
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 185
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
- 融点
- 166 °C · 166°C
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- 2 O: · H2O: ~60°C で ≥15mg/mL
- 外見
- 粉
- 色
- 白から黄褐色
- 水溶解度
- 2 O: · H2O: ≥15mg/mL at~60°C
- 安定性
- 湿気に敏感
- InChI
- InChI=1/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H
- InChIKey
- LWWSARSTZGNKGV-UHFFFAOYNA-N
- SMILES
- C1(OC(=O)C)CN2CC[C@]1([H])CC2.Cl |&1:9,r|
化学的性質
化学的特性White Crystalline Powder
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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. 3 (100%)
安全データ
- wgk
- WGK 3
- rtecs
- VD6198000
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here.
Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.
応用分野
使用Aceclidine is a synthetic analogue of Arecoline, a natural cholinomimetic alkaloid. Aceclidine acts as an agonist at cholinergic receptors and has therapeutic use to reduce intraocular pressure in glaucoma. A parasympathomimetic drug with weak anticholinesterase activity.
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