Basic information
- CAS
87657-26-9- Standard SMILES
Oc1cc(O)c2c(c1)[C@@H]1CCCN[C@H]1CC2- InChIKey
RTZCGMQBIRBCHE-CABZTGNLSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Overview
conformationally restricted congener of dopamine; structure given in first source
Names & identifiers
- Preferred name
- 7,9-Dihydroxy-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinoline
- IUPAC
- (4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
- English name
- 7,9-dihydroxy-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinoline
- Molecular weight
- 0
Names & synonyms
7,9-Dobq87657-26-97,9-Dihydroxy-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinolineBenzo(f)quinoline-7,9-diol, 1,2,3,4,4a,5,6,10b-octahydro-, trans-RefChem:105623CHEMBL2027959DTXSID201007716(4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]quinoline-7,9-diol
Database identifiers
- CAS
87657-26-9- PubChem CID
- 137331
- DTXSID
DTXSID201007716- ChEMBL
CHEMBL2027959
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…