Basic information
- CAS
7005-82-5- Standard SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21- InChIKey
AUVVAXYIELKVAI-UHFFFAOYSA-N- Molecular formula
- C29H40N2O4
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.29880776
Overview
6',7',10,11-tetramethoxyemetan has been reported in Carapichea ipecacuanha with data available.
Names & identifiers
- Preferred name
- Isoemetine, tetradehydro-
- IUPAC
- 2-[(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
Names & synonyms
ISOEMETINE, TETRADEHYDRO-NSC 33669Purum (Salt/Mix)Amebicide (Salt/Mix)GNF-Pf-5190CHEMBL192858MEGxp0_002048SCHEMBL13912579ACon0_000657DTXSID80859331AUVVAXYIELKVAI-UHFFFAOYSA-N2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-
Show more names
NSC25464NSC-25464SW220072-11a({3aEthyla9,10adimethoxya1H,2H,3H,4H,6H,7H,11bHa pyrido[2,1aa]isoquinolina2ayl}methyl)a6,7a dimethoxya1,2,3,4atetrahydroisoquinoline7005-82-5
Database identifiers
- CAS
7005-82-5- PubChem CID
- 9426
- DTXSID
DTXSID80859331- ChEMBL
CHEMBL192858- Nikkaji
- J3.453.290G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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