Basic information
- CAS
5868-18-8- Standard SMILES
COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C)CC2- InChIKey
ORJVQPIHKOARKV-HNNXBMFYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Overview
Aprphine, 1,2-dimethoxy-, (+-)- has been reported in Liriodendron tulipifera, Monanthotaxis cauliflora, and other organisms with data available.
Names & identifiers
- Preferred name
- Aprphine, 1,2-dimethoxy-, (+-)-
- IUPAC
- (6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Names & synonyms
dl-NuciferineAprphine, 1,2-dimethoxy-, (+-)-(+-)-1,2-DimethoxyaporphineDTXSID802073784H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (+-)-(6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline5868-18-8(6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolineRefChem:113556DTXCID801298694H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (+-)-(9CI)1-5, 6-Dimethoxyaporphine
Show more names
6a-.beta.-Aporphine, 1,2-dimethoxy-CHEMBL4289859ORJVQPIHKOARKV-HNNXBMFYSA-N
Database identifiers
- CAS
5868-18-8- PubChem CID
- 22156
- DTXSID
DTXSID80207378- ChEMBL
CHEMBL4289859- Nikkaji
- J3.786.919H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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