Basic information
- CAS
95909-85-6- Standard SMILES
OC1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23- InChIKey
KOIGYXJOGRVNIS-HAIWGOBWSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Names & identifiers
- Preferred name
- Dihydrodinoreburnameninol
- IUPAC
- (15R,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
- English name
- dihydrodinoreburnameninol
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.3535
Names & synonyms
DihydrodinoreburnameninolDHDNE95909-85-6RefChem:13379114,15-Dihydro-20,21-dinoreburnamenin-14-ol(15R,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-olSCHEMBL2233670DTXSID1091474020,21-Dinoreburnamenin-14-ol, 14,15-dihydro-(13aR,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol20,21-Dinoreburnamenin-14-ol, 14,15-dihydro- (9CI)
Database identifiers
- CAS
95909-85-6- PubChem CID
- 175657
- DTXSID
DTXSID10914740- Nikkaji
- J395.174J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 28.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 482.5 · 482.5±45.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 14.28 · 14.28±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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