Basic information
- CAS
6151-39-9- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O.O.O=S(=O)(O)O- InChIKey
GFKRMXVYTDHLDX-IGHLKYCJSA-N- Molecular formula
- C20H34N2O10S
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.19341646
Names & identifiers
- Preferred name
- Sulfuric acid--6'-methoxycinchonan-9-ol--water (1/1/4)
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate
Names & synonyms
DTXSID70977073Sulfuric acid--6'-methoxycinchonan-9-ol--water (1/1/4)Sulfuric acid--(1xi,9S)-6'-methoxycinchonan-9-ol--water (1/1/4)
Database identifiers
- CAS
6151-39-9- PubChem CID
- 64639
- DTXSID
DTXSID70977073
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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