Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)
Basic information
- CAS
7778-93-0- Standard SMILES
C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O- InChIKey
AKYHKWQPZHDOBW-YYQSSQEESA-N- Molecular formula
- C20H26N2O6S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.15115773
Names & identifiers
- Preferred name
- Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)
- IUPAC
- (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
- English name
- (8alpha,9R)-6'-methoxycinchonan-9-ol, salt with sulphuric acid
- Molecular formula
- C20H24N2O2.xH2O4S
- Molecular weight
- 422.5
Names & synonyms
7778-93-0EINECS 231-918-1Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (salt)RefChem:126189Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate (1:?)(8alpha,9R)-6'-Methoxycinchonan-9-ol, salt with sulphuric acidAKYHKWQPZHDOBW-YYQSSQEESA-NSulfuric acid--(1xi,9R)-6'-methoxy-8alpha-cinchonan-9-ol (1/1)(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid(8α,9R)-6'-Methoxycinchonan-9-ol/sulfuric acidCinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:)
Show more names
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,sulfuric acid
Database identifiers
- CAS
7778-93-0- PubChem CID
- 82204
- DTXSID
DTXSID00948190- EC Number
- 231-918-1
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- EPA Substance Registry System
- -9 · Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate (salt) (7778-93-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate (1:?): INACTIVE
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Compound notes
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