Basic information
- CAS
572-60-1- Standard SMILES
C=CC1CN2C(OC)CC1CC2C(O)c1ccnc2ccccc12- InChIKey
NAXGSHXNYVZTNO-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 6-Methoxycinchonan-9-ol
- IUPAC
- (5-ethenyl-7-methoxy-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
- English name
- (8alpha,9S)-6'-methoxycinchonan-9-ol
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
6-methoxycinchonan-9-olSCHEMBL454394DTXSID809726509-Epiquinine9-epi-QuinineCyproconazole Impurity 5(8α,9S)-6'-Methoxycinchonan-9-ol(8S,9S)-6'-Methoxycinchonan-9-ol(8alpha,9S)-6'-methoxycinchonan-9-olCinchonan-9-ol, 6'-methoxy-, (8α,9S)-(7-methoxy-5-vinyl-quinuclidin-2-yl)-(4-quinolyl)methanol(3-ethenyl-6-methoxy-1-azabicyclo[2.2.2]octan-7-yl)-quinolin-4-ylmethanol
Show more names
(3-ethenyl-6-methoxy-1-azabicyclo[2.2.2]octan-7-yl)-quinolin-4-yl-methanol
Database identifiers
- CAS
572-60-1- PubChem CID
- 102439
- DTXSID
DTXSID80972650
Properties
Computed structural properties
- XLogP
- 2.7
- 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
LogP2.9
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 495.9 · 495.9±40.0 °C(Predicted)
- alpha
- 22 · D22 +43° (c = 0.95 in 99% alc)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Very Slightly)
- pka
- 12.8 · 12.80±0.20(Predicted)
- form
- Solid
- color
- Beige to Dark Yellow
- FDA UNII
- 4 M9989F55E · 4M9989F55E
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H334
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-36/37-45
- Hazard statements
- H302-H317-H334
- Precautionary statements
- P261-P280-P342+P311
Chemistry & industry
Applications
UsesThe 9-epimer of Quinine (Q694000). Antimalarial.
Suppliers7 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: (S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol is a cinchona alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…