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사이클로펜톨레이트

Cyclopentolate

HCID 2905
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
512-15-2
표준 SMILES
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
InChIKey
SKYSRIRYMSLOIN-UHFFFAOYSA-N
분자식
C17H25NO3
평균 분자량
291.4 g/mol
단동위원소 질량
291.18344366

개요

Cyclopentolate is a carboxylic ester resulting from the formal condensation of (1-hydroxycyclopentyl)(phenyl)acetic acid with N,N-dimethylethanolamine. A tertiary amine antimuscarinic with actions similar to atropine, it is used as its hydrochloride salt 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 is a tertiary alcohol, a carboxylic ester and a tertiary amino compound. It is functionally related to a N,N-dimethylethanolamine and a (1-hydroxycyclopentyl)phenylacetic acid.

이름 및 식별자

우선 이름
Cyclopentolate
IUPAC
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
현지명
사이클로펜톨레이트
영어명
Cyclopentolate
분자식
C17H25NO3
분자량
291.39

이름 및 동의어

cyclopentolate512-15-2Ciclopentolato2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetateCyclopentolatumBell Pentolate(+-)-cyclopentolateI76F4SHP7J2-(Dimethylamino)ethyl 1-hydroxy-alpha-phenylcyclopentaneacetate1-hydroxy-alpha-phenylcyclopentaneacetic acid 2-(dimethylamino)ethyl esteralpha-(1-hydroxycyclopentyl)benzeneacetic acid 2-(dimethylamino)ethyl esterbeta-dimethylaminoethyl (1-hydroxycyclopentyl)phenylacetate
이름 더 보기
사이클로펜톨레이트CypleginMydrilateyclopentolateCyclopentylateCyclopentoiateDL-Cyclopentolateβ-Dimethylaminoethyl (1-hydroxycyclopentyl)phenylacetate2-(Dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate
CHEBI:4024beta-(Dimethylamino)ethyl (1-hydroxycyclopentyl)phenylacetateDTXSID30485282-phenyl-2-(1-hydroxycyclopentyl)ethanoic acid beta-(dimethylamino)ethyl esterBenzeneacetic acid, alpha-(1-hydroxycyclopentyl)-, 2-(dimethylamino)ethyl esterRefChem:56554DTXCID4027995S01FA04

물성

구조 계산 물성

XLogP
2.7
극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
21
형식 전하
0
복잡도
331

실험 및 물리화학적 성질

DrugsPharmaceuticals
LogP2.4
Solubility1.50e+00 g/L
Human Drugs · 3건

Breast Feeding; Lactation; Mydriatics; Muscarinic Antagonists; Parasympatholytics

Pharmaceuticals

Diagnostic agents > Ophthalmic medicines

Melting Point · 2건

134-136

139 °C (hydrochloride salt)

Physical DescriptionSolid
Collision Cross Section166.35 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

끓는 점
409.7 · 409.7±20.0 °C(Predicted)
밀도
1.136 · 1.136±0.06 g/cm3(Predicted)
산도 계수 (pKa)
7.93 · pKa 7.93(H2O ) (Uncertain)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: Cyclopentolate (EC: 208-136-4)
Other Safety InformationIMAP assessments - Benzeneacetic acid, .alpha.-(1-hydroxycyclopentyl)-, 2-(dimethylamino)ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

ATC Code · 3건

S01FA04

S - Sensory organs

QS - Sensory organs

Pharmacodynamics · 1건

Cyclopentolate is an anti-muscarinic in the same class as atropine and scopolamine. Cyclopentolate blocks the receptors in the muscles of the eye (muscarinic receptors). These receptors are involved controlling the pupil size and the shape of the lens. Cyclopentolate thus induces relaxation of the sphincter of the iris and the ciliary muscles. When applied topically to the eyes, it causes a rapid, intense cycloplegic and mydriatic effect that is maximal in 15 to 60 minutes; recovery usually occurs within 24 hours. The cycloplegic and mydriatic effects are slower in onset and longer in duration in patients who have dark pigmented irises.

Mechanism of ActionBy blocking muscarinic receptors, cyclopentolate produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia).
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.

Absorption, Distribution and ExcretionAbsorbed following ophthalmic administration.
Cellular LocationsCytoplasm

용도 및 제조

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
512-15-2
PubChem CID
2905
DTXSID
DTXSID3048528
ChEMBL
CHEMBL1201338
ChEBI
CHEBI:4024
UNII
I76F4SHP7J
EC Number
208-136-4
Nikkaji
J264.904G、J264.905E、J6.274J
Uses
Use (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals

응용 분야

용도Cyclopentolate is an effective mydriatic and cycloplegic that begins to act very quickly and has a relatively short duration. It is used also in ophthalmoscopy for causing pre-operational mydriasis.

상·하류 제품 정보

상류 원료

마그네슘2-ChloroethyldimethylamineSodium phenylacetate사이클로펜타논이소프로필브로마이드

공급사16 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
추가 설명 · 1건

정의ChEBI: A carboxylic ester resulting from the formal condensation of (1-hydroxycyclopentyl)(phenyl)acetic acid with N,N-dimethylethanolamine. A tertiary amine antimuscarinic with actions similar to atropine, it is used as its ydrochloride salt 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.