Vuzin
Basic information
- CAS
130-87-0- Standard SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCCCCCC(C)C)cc12- InChIKey
DIOGDSVVUWNLHM-LKSLQULUSA-N- Molecular formula
- C27H40N2O2
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.30897852
Names & identifiers
- Preferred name
- Vuzin
- IUPAC
- (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(6-methylheptoxy)quinolin-4-yl]methanol
Names & synonyms
VuzinY3XEP4ERX7iso-octylhydrocupreineNS00041380Cinchonan-9-ol, 10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8alpha,9R)-
Database identifiers
- CAS
130-87-0- PubChem CID
- 120752
- UNII
- Y3XEP4ERX7
- Nikkaji
- J2.936.065K
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 541
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Compound notes
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