基本情報
- CAS
5870-29-1- 標準SMILES
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl- InChIKey
RHKZVMUBMXGOLL-UHFFFAOYSA-N- 分子式
- C17H26ClNO3
- 平均分子量
- 327.8 g/mol
- 単同位体質量
- 327.1601214
概要
Cyclopentolate hydrochloride is the hydrochloride salt of cyclopentolate. It is used to produce mydriasis (excessive dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) for opthalmic diagnostic procedures. It acts more quickly than atropine and has a shorter duration of action. It has a role as a diagnostic agent, a muscarinic antagonist, a parasympatholytic and a mydriatic agent. It contains a cyclopentolate.
名称と識別子
- 優先名称
- Cyclopentolate Hydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
- 現地名
- シクロペントラート塩酸塩
- 英語名
- Cyclopentolate hydrochloride
- 分子式
- C17H26ClNO3
- 分子量
- 327.85
名称と別名
CYCLOPENTOLATE HYDROCHLORIDE5870-29-1Cyclopentolate HCLCypleginAK-PentolateMydrilatePentolairCyclogylAkpentolateAlnideCylateDTXSID9045390
名称をさらに表示
塩酸シクロギルシクロペントラート塩酸塩α-(1-ヒドロキシシクロペンチル)ベンゼン酢酸2-(ジメチルアミノ)エチル·塩酸塩シクロギル塩酸塩塩酸シクロペントレート塩酸シクロペントラ-トサイクロジル塩酸シクロペントラートシクロペントラート 塩酸塩シクロペントラート塩酸塩 (JP17)α-(1-ヒドロキシシクロペンチル)ベンゼン酢酸2-(ジメチルアミノ)エチル・塩酸塩2-(dimethylamino)ethyl1-hydroxy-alpha-phenylcyclopentaneacetatehydrochloridZyklolatMydplegic5-Hydroxy-1Cyclopentolate HCl USPCyclogyl hydrochlorideLABOTEST-BB LT00244824
NSC-756706beta-Dimethylaminoethyl (1-hydroxycyclopentyl)phenylacetate hydrochloride2-(Dimethylamino)ethyl 1-hydroxy-alpha-phenylcyclopentaneacetate hydrochloride736I6971TECHEBI:4025DTXCID7025390RefChem:565552-(Dimethylamino)ethyl (2RS)-2-(1-hydroxycyclopentyl)phenylacetate monohydrochloride
物性
構造計算による物性
- 極性表面積
- 49.8 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
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 331
実験および物理化学的性質
Solubility>49.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section169 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 137 · 137-141°
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 水に易溶、エタノール(96%)に可溶。それは、多型 (5.9) を示しました。
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 主な用途
- 医薬品（低分子化合物）
- InChI
- InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H
- InChIKey
- RHKZVMUBMXGOLL-UHFFFAOYSA-N
- SMILES
- C1(O)(CCCC1)C(C(=O)OCCN(C)C)C1C=CC=CC=1.Cl
化学的性質
化学的特性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
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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
Other Safety InformationIMAP assessments - Benzeneacetic acid, .alpha.-(1-hydroxycyclopentyl)-, 2-(dimethylamino)ethyl ester, hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (50%)
安全データ
- wgk
- 2
- rtecs
- GY2450000
- hs_code
- 2922190900
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.
応用分野
説明Cyclopentolate is an antagonist of muscarinic acetylcholine receptors (Kis = 1.62, 27.5, and 2.63 nM for M1, M2, and M3 receptors, respectively). It inhibits carbachol-induced contraction of isolated human iris sphincter, circular ciliary muscle, and longitudinal ciliary muscle (Kbs = 7.9, 15.8, and 12.5 nM, respectively). Formulations containing cyclopentolate have been used to induce pupil dilation and to prevent the eye from accommodating for near vision.
使用Mydriatic;Cholinergic receptor antagonist
一般的な説明Cyclopentolatehydrochloride, 2-dimethylaminoethyl 1-hydroxy- -phenylcyclopentaneacetatehydrochloride (Cyclogyl), is a crystalline,white, odorless solid that is very soluble in water,easily soluble in alcohol, and only slightly soluble in ether.A 1% solution has a pH of 5.0 to 5.4.Cyclopentolate hydrochloride has one half of the antispasmodicactivity of atropine and is nonirritating when instilledrepeatedly into the eye. If not neutralized after the refractionstudies, its effect dissipates within 24 hours. Neutralizationwith a few drops of pilocarpine nitrate solution, 1% to 2%,often results in complete recovery in 6 hours. It is supplied asa ready-made ophthalmic solution in concentrations of either0.5% or 2%.
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