Quinuclidinyl benzilate, (+)-
Basic information
- CAS
62869-68-5- Standard SMILES
O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1- InChIKey
HGMITUYOCPPQLE-LJQANCHMSA-N- Molecular formula
- C21H23NO3
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.1677936
Names & identifiers
- Preferred name
- Quinuclidinyl benzilate, (+)-
- IUPAC
- [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
Names & synonyms
Quinuclidinyl benzilate, (+)-(S)-3-Quinuclidinyl benzilate(+)-3-Quinuclidinyl benzilate(S)-(+)-QnbUNII-VH47AP03H6VH47AP03H662869-68-5(+)-quinuclidinyl benzilateCHEMBL1788199Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, (3S)-1-azabicyclo(2.2.2)oct-3-yl esterL-QUINUCLIDINYL BENZILATEDTXSID00863910
Show more names
HGMITUYOCPPQLE-LJQANCHMSA-NBDBM50367742QUINUCLIDINYL BENZILATE, (S)-Q27291832(3S)-1-Azabicyclo[2.2.2]octan-3-yl hydroxydi(phenyl)acetateBENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (3S)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTERBENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (S)-
Database identifiers
- CAS
62869-68-5- PubChem CID
- 688567
- DTXSID
DTXSID00863910- ChEMBL
CHEMBL1788199- UNII
- VH47AP03H6
- Nikkaji
- J419.450K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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