Basic information
- Standard SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12- InChIKey
LOUPRKONTZGTKE-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Overview
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol is a cinchona alkaloid.
Names & identifiers
- Preferred name
- Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
- IUPAC
- (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
Names & synonyms
(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
Show more names
[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
Database identifiers
- CAS
130-95-0、936694-43-8- PubChem CID
- 1065
- DTXSID
DTXSID40903283- ChEMBL
CHEMBL15088- ChEBI
CHEBI:94416- Nikkaji
- J1.056.302J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
DrugsPharmaceuticals
Human DrugsBreast Feeding; Lactation; Anti-infective Agents; Antiparasitic Agents; Antimalarials; Antiprotozoal Agents; Foodborne Diseases; Glucosephosphate Dehydrogenase Deficiency
Safety & regulation
GHS classification
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)
Hazard information
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
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-: ACTIVE
Related reactions
2 records
Linked notes
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