기본 정보
- 표준 SMILES
Br.COC(=O)C1=CCCN(C)C1- InChIKey
AXOJRQLKMVSHHZ-UHFFFAOYSA-N- 분자식
- C8H14BrNO2
- 평균 분자량
- 236.11 g/mol
- 단동위원소 질량
- 235.02079079
개요
Arecoline hydrobromide is an organic molecular entity. It has a role as a toxin and a carcinogenic agent.
이름 및 식별자
- 우선 이름
- Arecoline Hydrobromide
- IUPAC
- methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
300-08-3- PubChem CID
- 9301
- DTXSID
DTXSID9075379- ChEMBL
CHEMBL449209- ChEBI
CHEBI:233150- UNII
- 24S79B9CX7
- EC Number
- 206-087-3
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
- 12
- 형식 전하
- 0
- 복잡도
- 187
실험 및 물리화학적 성질
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
독성 정보
Toxicity Summary
Arecoline is the primary active ingredient responsible for the central nervous system effects of the areca nut. Arecoline has been compared to nicotine; however, nicotine acts primarily on the nicotinic acetylcholine receptor. Arecoline is known to be a partial agonist of muscarinic acetylcholine M1, M2, M3 receptors and M4, which is believed to be the primary cause of its parasympathetic effects (such as pupillary constriction, bronchial constriction, etc.). (Wikipedia) Arecoline is cytotoxic to human gingival fibroblasts at a concentration higher than 50 μg/ml by depleting intracellular thiols and inhibiting mitochondrial activity (P<0.05). In addition, the cells displayed a marked arrest at G2/M phase in a dose-dependent manner. (A15351)
화학 및 산업
용도 및 제조
Uses
Arecoline is found in nuts. Arecoline is isolated from betel nuts Arecoline is an alkaloid natural product found in the areca nut, the fruit of the areca palm (Areca catechu). Since one of the hallmarks of Alzheimer's disease is a cognitive decline, arecoline was suggested as a treatment to slow down this process and arecoline administered via i.v. Arecoline has also been used medicinally as an antihelmintic (a drug against parasitic worms).
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연결된 노트
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