기본 정보
- CAS
6109-70-2- 표준 SMILES
CC(=O)OC1CN2CCC1CC2.Cl- InChIKey
LWWSARSTZGNKGV-UHFFFAOYSA-N- 분자식
- C9H16ClNO2
- 평균 분자량
- 205.68 g/mol
- 단동위원소 질량
- 205.0869564
이름 및 식별자
- 우선 이름
- 1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
- 영어명
- Aceclidine hydrochloride
- 분자식
- C9H16ClNO2
- 분자량
- 205.68
이름 및 동의어
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)
이름 더 보기
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
데이터베이스 식별자
- CAS
6109-70-2- PubChem CID
- 170367
- DTXSID
DTXSID30976587- ChEMBL
CHEMBL4303558- UNII
- 3B22O325Q6
- EC Number
- 228-071-5
물성
구조 계산 물성
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 185
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 166 °C · 166°C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 2 O: · H2O: ~60°C에서 ≥15mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- 수용성
- 2 O: · H2O: ≥15mg/mL at~60°C
- 안정성
- 수분에 민감한
- 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|
화학적 성질
White Crystalline Powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- WGK 3
- rtecs
- VD6198000
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 2933998090
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
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.
응용 분야
용도Aceclidine 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.
공급사55 곳
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都佰洋科技有限责任公司02861777709 13308012069 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
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