기본 정보
- 표준 SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12- InChIKey
LOUPRKONTZGTKE-UHFFFAOYSA-N- 분자식
- C20H24N2O2
- 평균 분자량
- 324.4 g/mol
- 단동위원소 질량
- 324.18377801
개요
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol is a cinchona alkaloid.
이름 및 식별자
- 우선 이름
- Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
- IUPAC
- (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
이름 및 동의어
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolCinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-(5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-(6-methoxyquinolin-4-yl)methanolRefChem:577168Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-6'-Methoxycinchonan-9-ol936694-43-8Quinine anhydrous(6-methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanolQuinidine anhydrous(1R)((2S,4S,5R)-5-vinylquinuclidin-2-yl)(6-methoxy(4-quinolyl))methan-1-ol
이름 더 보기
[5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol9-epi-Quinine(+)-ChinidinSCHEMBL25528(R)-(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanolCHEMBL150882-Quinuclidinemethanol, .alpha.-(6-methoxy-4-quinolyl)-5-vinyl-orb1226574
데이터베이스 식별자
- CAS
130-95-0、936694-43-8- PubChem CID
- 1065
- DTXSID
DTXSID40903283- ChEMBL
CHEMBL15088- ChEBI
CHEBI:94416- Nikkaji
- J1.056.302J
물성
구조 계산 물성
- XLogP
- 2.9
- 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
- 457
실험 및 물리화학적 성질
DrugsPharmaceuticals
Human DrugsBreast Feeding; Lactation; Anti-infective Agents; Antiparasitic Agents; Antimalarials; Antiprotozoal Agents; Foodborne Diseases; Glucosephosphate Dehydrogenase Deficiency
안전 및 규제
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-
Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Quinine and its salts: Human health tier II assessment
Hazard Classes and CategoriesAcute toxicity - category 4
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
용도 및 제조
General Manufacturing InformationCinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-: ACTIVE
관련 반응
2건
연결된 노트
불러오는 중…