1-Butanone, 4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-1-phenyl-, hydrochloride, (+-)-
Basic information
- CAS
61098-71-3- Standard SMILES
Cl.O=C(CCCN1CC2(c3cccc(O)c3)CCCC1C2)c1ccccc1- InChIKey
LRUKTDURLVAPHW-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1808568
Names & identifiers
- Preferred name
- 1-Butanone, 4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-1-phenyl-, hydrochloride, (+-)-
- IUPAC
- 4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]-1-phenylbutan-1-one;hydrochloride
Names & synonyms
1-Butanone, 4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-1-phenyl-, hydrochloride, (+-)-61098-71-3RefChem:228914CHEMBL3251455SCHEMBL11862345DTXSID009766104-[1-(3-Hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]-1-phenylbutan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
61098-71-3- PubChem CID
- 3045761
- DTXSID
DTXSID00976610- ChEMBL
CHEMBL3251455
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…