Basic information
- CAS
63717-04-4- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O- InChIKey
SFWZXFCJOWQJFZ-HFUYCMBESA-N- Molecular formula
- C20H28N2O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.20490738
Names & identifiers
- Preferred name
- 6'-Methoxycinchonan-9-ol--water (1/2)
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
Names & synonyms
DTXSID009801316'-Methoxycinchonan-9-ol--water (1/2)(1xi,9S)-6'-Methoxycinchonan-9-ol--water (1/2)
Database identifiers
- CAS
63717-04-4- PubChem CID
- 64669
- DTXSID
DTXSID00980131
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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