Basic information
- CAS
10159-64-5- Standard SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21- InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N- Molecular formula
- C28H38N2O4
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.2831577
Overview
Desmethylemetine is an alkaloid.
Names & identifiers
- Preferred name
- Desmethylemetine
- IUPAC
- 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Names & synonyms
Desmethylemetine1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-olDihydropsychotrineEmetan-6'-ol, 7',10,11-trimethoxy-orb1992074SCHEMBL13912580DTXSID00862004CHEBI:181712DTGZHCFJNDAHEN-UHFFFAOYSA-NAKOS037514580T124574(R)-1-(((2S,3R,11bS)-3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl)methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Show more names
10159-64-5
Database identifiers
- CAS
10159-64-5- PubChem CID
- 2665
- DTXSID
DTXSID00862004- ChEBI
CHEBI:181712
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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