Basic information
- CAS
75847-66-4- Standard SMILES
CNCC(O)CC12CC(c3ccccc31)c1ccccc12.Cl- InChIKey
QPUCVVVTTZSQBU-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.138992
Overview
selective inhibitor of noradrenaline uptake in rat brain; structure
Names & identifiers
- Preferred name
- 1-(1-Methylamino-2-hydroxy-3-propyl)-dibenzo(b,e)-bicyclo(2,2,2)octadiene hydrochloride
- IUPAC
- 1-(methylamino)-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol;hydrochloride
Names & synonyms
75847-66-4C-49802-B-Ba1-(1-Methylamino-2-hydroxy-3-propyl)-dibenzo(b,e)-Bicyclo(2,2,2)octadiene Hydrochloride9,10-Methanoanthracene-9-ethanol, 9,10-dihydro-alpha-((methylamino)methyl)-, hydrochlorideRefChem:73912C49802-B-BaDTXSID309972321-(1-methylamino-2-hydroxy-3-propyl)-dibenzo(b,e)- Bicyclo(2,2,2)octadiene Hydrochloride1-(methylamino)-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol;hydrochloride1-(1-Methylamino-2-hydroxy-3-propyl)-dibenzo(b,e)-bicyclo(2,2,2)octadiene hcl1-(9,10-Methanoanthracen-9(10H)-yl)-3-(methylamino)propan-2-ol--hydrogen chloride (1/1)1-(9,10-Methanoanthracen-9(10H)-yl)-3-(methylamino)propan-2-olato(2-)--hydrogen chlorido(2-) (1/1)
Database identifiers
- CAS
75847-66-4- PubChem CID
- 192047
- DTXSID
DTXSID30997232
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…