Basic information
- CAS
101077-19-4- Standard SMILES
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.O=C(O)C(=O)O- InChIKey
WXICOPRXDAXRTE-MRFSYGAJSA-N- Molecular formula
- C31H42N2O8
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.2941163
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, oxalate, (+-)
- IUPAC
- (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;oxalic acid
Names & synonyms
(+-)-Dehydro-2,3 isoemetine, oxalate [French]2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, oxalate, (+-)(+-)-Dehydro-2,3 isoemetine, oxalate(1'-beta)-6',7',10,11-Tetramethoxyemetan oxalate101077-19-4Emetan, 6',7',10,11-tetramethoxy-, oxalate, (1'-beta)-DTXSID50143714RefChem:268593DTXCID9066205Emetan, 6',7',10,11-tetramethoxy-, oxalate, (1'-beta)-(9CI)Oxalic acid--6',7',10,11-tetramethoxyemetan (1/1)
Database identifiers
- CAS
101077-19-4- PubChem CID
- 3063554
- DTXSID
DTXSID50143714
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…