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Cyclopentolate Hydrochloride

HCID 22162
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
5870-29-1
표준 SMILES
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl
InChIKey
RHKZVMUBMXGOLL-UHFFFAOYSA-N
분자식
C17H26ClNO3
평균 분자량
327.8 g/mol
단동위원소 질량
327.1601214

개요

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.

이름 및 식별자

우선 이름
Cyclopentolate Hydrochloride
IUPAC
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
영어명
Cyclopentolate hydrochloride
분자식
C17H26ClNO3
분자량
327.85

이름 및 동의어

CYCLOPENTOLATE HYDROCHLORIDE5870-29-1Cyclopentolate HCLCypleginAK-PentolateMydrilatePentolairCyclogylAkpentolateAlnideCylateDTXSID9045390
이름 더 보기
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

데이터베이스 식별자

CAS
5870-29-1、60452-44-0、60452-46-2
PubChem CID
22162
DTXSID
DTXSID9045390
ChEMBL
CHEMBL1200473
ChEBI
CHEBI:4025

물성

구조 계산 물성

극성 표면적
49.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
22
형식 전하
0
복잡도
331

실험 및 물리화학적 성질

Solubility>49.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2건

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]

물리화학적 성질

녹는점
137 · 137-141°
저장 조건
Inert atmosphere,Room Temperature
용해도
물에 매우 잘 녹고 에탄올에 잘 녹습니다(96%). 다형성(5.9)을 보여줍니다.
물리적 상태
Solid
색상
흰색에서 황백색까지
주요 응용
의약품(소분자)
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

화학적 성질

White Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

안전 데이터

wgk
2
rtecs
GY2450000
HS 번호
2922190900

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

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.

응용 분야 · 3건

개요Cyclopentolate 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.

용도Mydriatic;Cholinergic receptor antagonist

일반 설명Cyclopentolatehydrochloride, 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%.

상·하류 제품 정보

상류 원료

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
UNII
736I6971TE
EC Number
227-521-8、262-240-4、262-242-5
사이클로펜타논
2-Chloroethyldimethylamine
Sodium phenylacetate
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