Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아레콜린
아레콜린 · Argatroban Anhydrous · METHYL 1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE HYDROBROMIDE · ArecoL · arecane · Taeniolin · ARECOLINE HBR · Arecoline hydr
식별자 및 물리적 특성
| CAS No. | 300-08-3 |
|---|---|
| 분자식 | C8H14BrNO2 |
| 평균 분자량 | 236.11 g/mol |
| 단동위원소 질량 | 235.02079079 g/mol |
| SMILES | Br.COC(=O)C1=CCCN(C)C1 |
| InChIKey | AXOJRQLKMVSHHZ-UHFFFAOYSA-N |
| PubChem CID | 9301 |
| ChEMBL | CHEMBL449209 |
| ChEBI | CHEBI:233150 |
| EC No. | 206-087-3 |
| DTXSID | DTXSID9075379 |
| 현지명 | 아레콜린 |
화학 및 물리적 성질
| 극성 표면적 | 29.5 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 187 |
| 용해도 | >35.4 [ug/mL] (The mean of the results at pH 7.4)H2O: 0.1 g/mL, 투명, 무색 |
| 녹는점 | 171-175 °C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 6.84(at 25℃) |
| 색상 | 흰색에서 밝은 노란색 |
| Merck | 14,778 |
| BRN | 3914826 |
| 안정성 | 제공된 대로 구매일로부터 2년 동안 안정적입니다. 솔루션이 안정적이지 않습니다. – 매일 신선하게 만드세요. |
| 주요 응용 | 임상 연구음식 및 음료 |
| InChI | InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H31H |
| InChIKey | AXOJRQLKMVSHHZ-UHFFFAOYSA-N |
| SMILES | C1(C(=O)OC)=CCCN(C)C1.Br |
| EPA | Arecoline hydrobromide (300-08-3) |
화학적 성질
WHITE FINE POWDER
안전 및 규제
| GHS 분류 | DangerH301 (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. |
|---|---|
| 규제 정보 | ARECOLINIUM BROMIDE: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (95.8%) |
| 건강 영향 | Pupillary constriction, bronchial constriction. |
| 노출 경로 | Ingestion |
| 독성 요약 | Arecoline is the primary active ingredient responsible for the central nervous system effects of the areca nut. Arecoline has been compared to nicotinehowever, 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) |
| Carcinogen Classification | Not listed by IARC. |
| Toxicity Data | LD50: 100 mg/kg, administered subcutaneously in mouse (Wikipedia) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | QT2275000 |
| 운송 번호(UN) | 1544 |
| 독성 | LD50 par-rat: 270 mg/kg ABMGAJ 28,681,72 |
| 관세 코드 | 29399990 |
| 위험 문구(R) | 22-23/24/25 |
| 위험 표시 | Xn,T |
| 안전 문구(S) | 45-38-36/37/39-28A |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 Oral |
| F 고인화성물질 | 8 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Arecoline is a muscarinic acetylcholine receptor agonist. Arecoline induces ADP ribosylation of histones and chromatid relaxation in spleen and bone marrow cells. In a study, a controlled trial involving 122 dogs experimentally infected with Echinococcus
일반 설명
Arecoline is an alkaloid obtained from theseeds of the betel nut (Areca catechu). For many years, nativesof the East Indies have consumed the betel nut as asource of a euphoria-creating substance.