기본 정보
- CAS
1435-55-8- 표준 SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12- InChIKey
LJOQGZACKSYWCH-LHHVKLHASA-N- 분자식
- C20H26N2O2
- 평균 분자량
- 326.4 g/mol
- 단동위원소 질량
- 326.19942808
개요
Hydroquinidine is under investigation in clinical trial NCT00927732 (Hydroquinidine Versus Placebo in Patients With Brugada Syndrome).
이름 및 식별자
- 우선 이름
- Hydroquinidine
- IUPAC
- (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
- 현지명
- 히드로퀴니딘
- 영어명
- Hydroquinidine
- 분자식
- C20H26N2O2
- 분자량
- 326.43
이름 및 동의어
hydroquinidine1435-55-8Hydroconchinine(9S)-10,11-Dihydro-6'-methoxycinchonan-9-ol8P68XPY4HGNSC-757410DTXSID50862110LCN-834RefChem:923132DTXCID00820720(S)-((1S,2R,4S,5R)-5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol215-862-5
이름 더 보기
하이드로키논히드로퀴니딘하이드로퀴니다인하이드로퀴니딘DHQDDIHYDROQUINIDINEaluminum triacetateHydroxyquinidineDihydroquinidine,99%d.e.(9s)-10,11-dihydro-6’-methoxycinchonan-9-ol(S)-((1S,2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolHydroqninidine
Hydroconquinine(+)-Dihydroquinidine10,11-DihydroquinidineDihydrochinidinMFCD00135599Dihydroquinine(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolACon1_001481
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 45.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 432
실험 및 물리화학적 성질
DrugsPharmaceutical
Collision Cross Section
174.21 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
176.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 169 · 169-170 °C(lit.)
- 끓는 점
- 464.47 °C · 464.47°C (rough estimate)
- 밀도
- 1.1117 · 1.1117 (rough estimate)
- 굴절률
- 1.68 · 1.6800 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 0.1 g/mL, · 클로로포름: 0.1 g/mL, 투명
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 12.8 · 12.80±0.20(Predicted)
- 색상
- White to off-white
- Merck
- 13 · 13,4831
- BRN
- 91441 · 91441
- InChIKey
- LJOQGZACKSYWCH-LHFMAAMQSA-N
- NIST
- Hydroquinidine(1435-55-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.6%): 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 3
- rtecs
- MX3016000
- ridadr
- 1544
- HS 번호
- 29339900
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36/37-36
- 포장분류
- III
- 위험 등급
- 6.1(b)
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
응용 분야
용도antiarrhythmic, antimalarial
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